data_6qs0_residue ############################ # Computer software used # ############################ 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 6qs0 _Structure_validation_residue.Date_analyzed 2020-03-13 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.225 -0.222 0 CA-C-O 120.554 0.216 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 54' ' ' ILE . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' HG22 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.427 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HG3' HD23 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.574 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.525 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.524 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.583 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.454 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.704 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.526 ' N ' HD13 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG11 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 21' ' ' LYS . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 81.5 m-70 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE1' HD13 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.493 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD13 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.412 HG21 HG22 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HB3' HG23 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB3' HG22 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.468 ' CG ' HD23 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 73' ' ' LEU . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.646 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.568 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' O ' HG21 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.632 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.438 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.632 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 pt? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.491 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' SER . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.461 ' HB2' HG23 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.506 ' HG3' HD22 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.513 ' CE1' HD13 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD21 HD12 ' A' ' 65' ' ' LEU . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD13 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.486 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.757 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.592 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE1' HD12 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.446 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 120.479 0.18 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.761 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.51 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.654 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.533 ' HB3' HG23 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.709 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' HD13 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.646 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 33' ' ' GLU . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.47 ' O ' HG21 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.793 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.543 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.793 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 111.328 0.122 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' N ' HD13 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' HD2' ' CE1' ' A' ' 106' ' ' PHE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HG3' HD23 ' A' ' 10' ' ' LEU . 45.9 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.748 HD23 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.618 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HD2' HG21 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.618 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.504 ' CE2' HD13 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.748 ' HG ' HD23 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.535 HD11 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.535 ' N ' HD11 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG13 HD11 ' A' ' 16' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 11' ' ' VAL . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HB3' HG22 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE1' HD12 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD23 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 HD12 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.47 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.408 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.479 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.406 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.769 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.715 HG11 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.769 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HG11 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 96' ' ' SER . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.494 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.425 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.53 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.431 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.53 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.421 HG22 HG23 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.709 HG13 HD11 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 m120 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HB3' HG22 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG3' HD23 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HZ1' HD12 ' A' ' 105' ' ' ILE . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.528 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.577 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.642 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.578 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.633 ' CD2' HD22 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.406 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.479 HG22 HG22 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.577 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 59' ' ' GLN . 6.2 mp . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.453 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.605 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.504 ' N ' HD11 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.485 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.1 p-10 -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.485 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.517 ' HB3' HG22 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.552 ' O ' HG21 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.602 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HB2' ' HZ3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.591 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.404 ' HG ' HD11 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.737 0.303 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.744 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.744 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.518 HD11 HG12 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 2.4 p-10 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.447 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.83 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 58' ' ' VAL . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.454 ' HG3' HD23 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.742 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.83 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.477 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.575 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.575 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.632 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.692 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.548 ' N ' HD11 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.577 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG2' HD11 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB3' HG22 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.828 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.828 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' VAL . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HZ2' HD11 ' A' ' 105' ' ' ILE . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' GLU . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.612 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.46 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.533 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.836 HG12 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.836 HD12 HG12 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 HG22 ' A' ' 54' ' ' ILE . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HG2' HD13 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.607 HD11 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.706 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.425 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.659 ' O ' HG21 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.454 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 m120 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.9 p-10 -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.636 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.512 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG2' HD21 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' A' ' 85' ' ' GLU . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.774 ' HZ3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.425 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 120.532 0.206 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.592 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 16' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 21' ' ' LYS . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.527 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD13 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.516 ' O ' HG21 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.533 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HZ2' ' HA ' ' A' ' 80' ' ' ASN . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.577 ' O ' HG21 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.577 HG21 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.436 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.565 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.488 HG22 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 pt? . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.726 0.298 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' CD ' ' HZ2' ' A' ' 21' ' ' LYS . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.601 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.4 m120 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.489 HG22 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HB3' HG22 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' HG3' HD23 ' A' ' 10' ' ' LEU . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.665 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' HA ' ' HG ' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CE1' HD13 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.487 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG21 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.475 ' HB2' HD12 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.474 HG21 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.665 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 21' ' ' LYS . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' A' ' 8' ' ' GLU . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HG2' HD11 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.895 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.514 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.844 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.844 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.767 ' HB3' ' HZ2' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HH ' HG22 ' A' ' 77' ' ' ILE . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.452 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.752 HG21 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.636 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' HG22 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.446 ' O ' HG21 ' A' ' 58' ' ' VAL . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.556 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.439 HD12 HD23 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.478 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.493 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.605 ' O ' HG21 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HB2' HD22 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.415 HG22 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.763 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.845 HG13 HD13 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HG2' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.602 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.64 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.651 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.556 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 44' ' ' PHE . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.804 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.64 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.804 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.651 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.645 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' HA ' ' HG ' ' A' ' 57' ' ' SER . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.478 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG3' HD22 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.676 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.588 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.466 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.48 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.676 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.462 ' HB2' HD22 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.561 HG21 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.509 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.49 ' SD ' ' HD3' ' A' ' 6' ' ' PRO . 53.6 tpp -174.15 140.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.56 36.01 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.764 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 p 43.25 78.72 0.37 Allowed Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 123.533 0.733 . . . . 0.0 112.681 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' HD3' ' SD ' ' A' ' 3' ' ' MET . 5.7 Cg_exo -76.08 -15.48 18.42 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.831 2.354 . . . . 0.0 112.323 -175.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.6 pt? -65.29 -26.96 68.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.867 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.698 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 54' ' ' ILE . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.504 ' HB3' HG22 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.581 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.427 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.581 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' OE1' ' HG2' ' A' ' 3' ' ' MET . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.427 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HG3' HD23 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD12 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.574 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.525 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.574 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.525 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.574 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.454 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.401 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.524 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.574 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.583 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.524 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.583 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.454 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.64 99.76 0.34 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 175.54 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.248 -171.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 19.04 7.74 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.299 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 51.68 80.65 0.29 Allowed Pre-proline 0 C--O 1.232 0.155 0 C-N-CA 123.352 0.661 . . . . 0.0 111.65 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 0.31 9.02 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.545 2.163 . . . . 0.0 112.409 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.97 -45.85 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.704 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.526 ' N ' HD13 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.704 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD11 HG11 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.486 ' HZ2' ' HB3' ' A' ' 21' ' ' LYS . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 81.5 m-70 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' O ' HG22 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' O ' HG22 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE1' HD13 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.527 ' O ' HG23 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.447 HD22 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.493 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD13 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.412 HG21 HG22 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.66 57.11 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.181 0.515 . . . . 0.0 111.349 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.24 99.14 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 95.9 0.91 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.22 110.19 1.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.83 -6.7 12.39 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.93 2.42 . . . . 0.0 112.269 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HB3' HG23 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG23 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' O ' HD13 ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.459 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.462 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.407 ' HB3' HG22 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.468 ' CG ' HD23 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.472 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 73' ' ' LEU . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.52 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.646 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.515 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.568 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' O ' HG21 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.632 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.438 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.632 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.37 86.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.552 0.341 . . . . 0.0 111.698 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 3' ' ' MET . 5.5 tpt -89.93 9.55 27.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.178 0.513 . . . . 0.0 110.326 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -39.45 2.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.514 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.2 p 43.75 75.31 0.66 Allowed Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 123.803 0.841 . . . . 0.0 112.039 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.77 -19.95 26.87 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 pt? -61.36 -45.03 96.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.227 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.689 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' N ' HD13 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.689 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.491 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' SER . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.461 ' HB2' HG23 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.506 ' HG3' HD22 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.513 ' CE1' HD13 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD21 HD12 ' A' ' 65' ' ' LEU . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD13 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.486 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.757 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.757 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.592 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.408 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.549 ' HZ1' ' HB2' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.495 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.419 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE1' HD12 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.512 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.609 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.446 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.496 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.21 -21.55 46.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.8 tpp -78.91 104.8 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.873 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 85.04 1.29 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.37 108.15 0.47 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 123.929 0.891 . . . . 0.0 112.198 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.661 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 20.8 Cg_endo -60.43 -34.95 92.58 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.634 2.889 . . . . 0.0 113.991 -169.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' O ' HG21 ' A' ' 11' ' ' VAL . 2.6 pt? -63.48 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.979 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.761 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.562 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.51 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.654 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.533 ' HB3' HG23 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.533 HG23 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.406 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.456 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.661 ' HG3' ' HB2' ' A' ' 6' ' ' PRO . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.709 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.505 ' HB3' HD13 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 23' ' ' THR . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.646 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.504 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 33' ' ' GLU . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.47 ' O ' HG21 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.406 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.793 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.543 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.793 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.543 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.17 49.72 16.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.63 ' HE3' ' HB2' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -64.92 105.89 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.087 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.03 88.29 1.33 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 169.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.422 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.9 p -43.18 103.73 0.33 Allowed Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HB2' ' NE2' ' A' ' 59' ' ' GLN . 85.4 Cg_endo -86.26 -19.12 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 HD13 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp -76.82 -26.38 54.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' N ' HD13 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.699 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 HG23 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HB3' HG22 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG22 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' HD2' ' CE1' ' A' ' 106' ' ' PHE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.489 ' HA ' ' HG2' ' A' ' 3' ' ' MET . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.63 ' HB2' ' HE3' ' A' ' 3' ' ' MET . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HG3' HD23 ' A' ' 10' ' ' LEU . 45.9 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.748 HD23 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.618 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' HD2' HG21 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.618 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.504 ' CE2' HD13 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.545 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.748 ' HG ' HD23 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 91.37 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 110.043 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt -163.39 125.35 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.514 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.6 101.95 1.24 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.23 107.31 0.75 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.866 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 88.9 Cg_endo -86.13 -25.1 1.49 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.656 2.238 . . . . 0.0 112.596 -178.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.535 HD11 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp -68.61 -28.0 66.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.947 -175.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.535 ' N ' HD11 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.866 ' HE2' ' HA ' ' A' ' 6' ' ' PRO . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG13 HD11 ' A' ' 16' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD11 HG13 ' A' ' 11' ' ' VAL . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HB3' HG22 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.526 HG22 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.517 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.566 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.566 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.491 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CE1' HD12 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 HD23 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 HD12 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.686 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD23 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.41 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' O ' HG23 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.47 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.448 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.408 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.479 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.96 33.77 12.09 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.828 0.451 . . . . 0.0 111.819 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 tpp -169.76 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.499 0.666 . . . . 0.0 110.657 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.78 -70.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -173.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -135.29 78.09 52.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.202 0.525 . . . . 0.0 110.109 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.47 -20.76 9.31 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.517 2.145 . . . . 0.0 113.018 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.26 -22.85 64.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.184 -173.739 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.769 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.715 HG11 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.769 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.715 HD12 HG11 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HG3' ' HA ' ' A' ' 96' ' ' SER . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.475 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.425 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.458 HD13 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.53 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.53 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.479 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.431 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.479 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.53 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.421 HG22 HG23 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.52 110.08 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 0.0 111.421 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.548 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 11.0 tpt -89.75 -39.51 13.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -136.57 12.91 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.25 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.3 p -132.09 73.87 77.38 Favored Pre-proline 0 C--N 1.319 -0.724 0 O-C-N 122.442 -0.446 . . . . 0.0 111.681 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.16 -28.57 10.66 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.237 1.958 . . . . 0.0 110.443 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -71.0 -31.97 68.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.693 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.709 HG13 HD11 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 m120 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.709 HD11 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.421 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' HB3' HG22 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HG22 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 3' ' ' MET . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HG3' HD23 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HZ1' HD12 ' A' ' 105' ' ' ILE . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.551 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.603 ' HB2' ' HZ1' ' A' ' 66' ' ' LYS . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.6 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' CD1' HD11 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.528 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.577 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.429 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.642 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.578 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.56 ' CE2' HD12 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.633 ' CD2' HD22 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.406 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.479 HG22 HG22 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.577 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.16 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 173.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.524 ' HE1' ' HB2' ' A' ' 3' ' ' MET . 10.7 ptm -119.24 -176.32 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.11 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 3' ' ' MET . . . -56.84 144.64 38.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 172.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.2 p -41.0 100.46 0.22 Allowed Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -172.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.47 -13.47 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.732 2.288 . . . . 0.0 112.898 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' A' ' 59' ' ' GLN . 6.2 mp -65.47 -40.89 93.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.699 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 5' ' ' THR . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.605 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.504 ' N ' HD11 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.485 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.1 p-10 -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.485 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.466 HG22 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' HB3' HG22 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.619 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.619 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.552 ' O ' HG21 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.447 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.602 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.594 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' HB2' ' HZ3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.491 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.554 ' CE2' HD13 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.441 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.591 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.404 ' HG ' HD11 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.47 3.9 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.472 ' HE1' ' HB2' ' A' ' 3' ' ' MET . 6.7 ptm -70.69 -18.85 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 0.0 111.441 -179.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . 84.65 106.93 0.62 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.25 107.49 4.12 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 4' ' ' GLY . 6.8 Cg_exo -74.37 -17.82 20.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.945 2.43 . . . . 0.0 111.281 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.99 -19.61 61.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.326 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 6' ' ' PRO . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.744 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.532 ' N ' HD13 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.744 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.518 HD11 HG12 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 2.4 p-10 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.447 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.83 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' O ' HG22 ' A' ' 58' ' ' VAL . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.454 ' HG3' HD23 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.742 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.592 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.632 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.566 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.47 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.83 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.512 ' O ' HG23 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.477 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.575 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.592 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.43 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.575 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.632 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 103.72 16.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.09 0.471 . . . . 0.0 110.787 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.574 ' HA ' ' HE1' ' A' ' 3' ' ' MET . 3.3 mmt -87.01 -24.62 24.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 13.74 82.81 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.595 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 17.7 p 40.4 77.32 0.43 Allowed Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.806 0.842 . . . . 0.0 112.567 -178.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' HG2' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -74.93 -15.89 20.68 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.446 2.097 . . . . 0.0 113.151 -176.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD12 ' HG2' ' A' ' 6' ' ' PRO . 7.4 mp -76.87 -45.72 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 -176.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 5' ' ' THR . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.692 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.548 ' N ' HD11 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.628 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.577 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG2' HD11 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HB3' HG22 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.828 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.828 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.411 ' O ' HG21 ' A' ' 58' ' ' VAL . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.53 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HZ2' HD11 ' A' ' 105' ' ' ILE . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.557 ' CE1' HD13 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD13 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.658 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.538 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.628 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' GLU . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.612 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.533 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.533 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.72 -46.61 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.224 . . . . 0.0 110.711 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt 64.97 -76.76 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.925 0.765 . . . . 0.0 111.955 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.65 -131.56 5.69 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.522 ' HB ' ' HB3' ' A' ' 8' ' ' GLU . 3.3 p -127.56 85.07 61.69 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.954 0.377 . . . . 0.0 111.644 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.16 -23.63 5.14 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.309 2.006 . . . . 0.0 111.936 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 pt? -88.72 -5.42 58.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.561 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 5' ' ' THR . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.836 HG12 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HG ' HD11 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.836 HD12 HG12 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD21 HG22 ' A' ' 54' ' ' ILE . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.456 ' HG2' HD13 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' HB3' HG23 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG23 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.446 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.487 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.607 HD11 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.706 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.425 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.659 ' O ' HG21 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.454 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.659 HG21 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.454 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.706 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.33 144.99 30.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.63 0.252 . . . . 0.0 110.743 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.637 ' HE3' ' HB3' ' A' ' 6' ' ' PRO . 4.5 ptp -86.86 8.3 23.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.245 0.545 . . . . 0.0 110.004 177.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.44 -80.8 0.33 Allowed Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -136.86 87.51 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.137 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HD2' HD13 ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.86 -16.0 18.6 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 123.061 2.508 . . . . 0.0 113.782 -172.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD13 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -96.45 -25.04 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.4 m120 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.9 p-10 -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.636 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' O ' HG21 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.417 HG21 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.512 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' HG2' HD21 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.416 ' HZ3' ' CD ' ' A' ' 85' ' ' GLU . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.774 ' HZ3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.513 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.522 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.425 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.82 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.024 0.44 . . . . 0.0 110.095 -178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.865 ' HE2' ' HB3' ' A' ' 52' ' ' SER . 33.3 tpp -83.72 -37.7 22.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.52 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.37 8.66 32.81 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.2 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p 46.65 76.38 0.55 Allowed Pre-proline 0 N--CA 1.464 0.272 0 C-N-CA 123.178 0.591 . . . . 0.0 111.961 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.75 ' HD3' ' HG3' ' A' ' 3' ' ' MET . 46.7 Cg_endo -68.81 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.821 2.347 . . . . 0.0 111.421 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pp -63.75 -14.62 54.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.284 176.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.474 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.592 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 16' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 21' ' ' LYS . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.527 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HG2' HD13 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HB3' HG23 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.865 ' HB3' ' HE2' ' A' ' 3' ' ' MET . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.516 ' O ' HG21 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.483 ' HG3' HD23 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.533 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.501 HD13 HD11 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.649 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.649 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' HA ' ' HZ2' ' A' ' 83' ' ' LYS . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HZ2' ' HA ' ' A' ' 80' ' ' ASN . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.431 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.577 ' O ' HG21 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.577 HG21 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.436 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.565 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.565 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.488 HG22 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.25 82.13 6.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -164.11 134.61 4.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.059 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 86.93 0.77 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -44.55 102.78 0.3 Allowed Pre-proline 0 N--CA 1.464 0.235 0 C-N-CA 123.569 0.748 . . . . 0.0 112.531 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' HB2' ' NE2' ' A' ' 59' ' ' GLN . 98.9 Cg_endo -85.29 -21.04 3.11 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.774 2.316 . . . . 0.0 112.743 -175.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.5 pt? -65.5 -42.69 91.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.253 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' CD ' ' HZ2' ' A' ' 21' ' ' LYS . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.601 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.857 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.4 m120 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.489 HG22 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HB3' HG22 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG22 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.462 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.597 ' NE2' ' HB2' ' A' ' 6' ' ' PRO . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.423 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD13 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.857 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.61 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD12 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 HD22 HD11 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' HG22 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.665 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' HA ' ' HG ' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.493 ' CE1' HD13 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.487 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 HD13 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG21 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.549 HG21 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.475 ' HB2' HD12 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.474 HG21 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.665 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.46 63.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.1 tpt -132.89 127.57 34.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.88 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.65 102.8 0.86 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -52.77 109.0 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.192 0.52 . . . . 0.0 112.064 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.44 -27.7 33.28 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.742 2.295 . . . . 0.0 111.746 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? -70.64 -42.76 70.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.571 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' CD ' ' HZ2' ' A' ' 21' ' ' LYS . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HZ2' ' CD ' ' A' ' 8' ' ' GLU . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.499 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' HG2' HD11 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HB3' HG23 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.516 HG23 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.422 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.895 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.497 HD11 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.525 ' CE1' HD13 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 HD13 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.516 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.508 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.844 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.844 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.767 ' HB3' ' HZ2' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' HH ' HG22 ' A' ' 77' ' ' ILE . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.493 HG23 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.452 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.18 101.48 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.731 ' HG2' ' HD3' ' A' ' 6' ' ' PRO . 39.5 ttm -103.52 -38.59 7.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 0.0 111.036 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.41 31.1 52.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.602 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p 41.12 88.76 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.919 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 86.1 Cg_endo -75.15 -0.73 10.37 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.552 2.168 . . . . 0.0 113.413 -170.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 11' ' ' VAL . 7.4 mp -71.58 -64.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.919 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.864 HG13 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.864 HD11 HG13 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.489 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.752 HG21 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' CG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD23 HD12 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.636 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' HG22 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD13 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG22 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' O ' HG21 ' A' ' 58' ' ' VAL . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.556 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.439 HD12 HD23 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.429 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.478 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.517 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.604 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.631 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.631 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.493 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.605 ' O ' HG21 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.418 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.478 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HB2' HD22 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.415 HG22 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.79 94.26 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.047 0.451 . . . . 0.0 111.066 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.502 ' HB3' ' HE3' ' A' ' 3' ' ' MET . 10.3 ptp -119.52 -25.85 5.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.049 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.94 25.25 72.05 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.171 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 35.7 p 46.73 78.53 0.39 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.156 0.582 . . . . 0.0 111.593 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HG2' HD23 ' A' ' 7' ' ' LEU . 16.9 Cg_endo -56.9 -32.88 93.72 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.991 2.46 . . . . 0.0 112.855 -173.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? -69.36 -49.92 51.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 178.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HZ2' ' HB3' ' A' ' 9' ' ' LYS . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.763 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.845 HG13 HD13 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.763 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.845 HD13 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.604 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' HG22 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.515 ' HG2' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.602 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD12 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.64 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.534 ' O ' HG22 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.651 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.556 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' CE1' ' HD2' ' A' ' 44' ' ' PHE . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.804 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.64 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.804 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.651 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.893 ' HA3' ' HB2' ' A' ' 51' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.29 93.84 2.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.566 ' HA ' ' HE1' ' A' ' 3' ' ' MET . 3.0 tpt -159.35 165.89 32.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 3' ' ' MET . . . -96.13 -106.96 2.28 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.382 174.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 2.4 p -130.25 94.57 30.0 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.794 0.33 . . . . 0.0 111.109 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.664 ' HD2' HD22 ' A' ' 7' ' ' LEU . 4.8 Cg_exo -77.71 -32.7 2.62 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.647 2.232 . . . . 0.0 112.242 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD22 ' HD2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -78.56 -5.64 53.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.781 -173.645 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 5' ' ' THR . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.645 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.589 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.893 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.937 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' HA ' ' HG ' ' A' ' 57' ' ' SER . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.478 ' HG ' ' HA ' ' A' ' 54' ' ' ILE . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG3' HD22 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.658 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.555 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.676 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.432 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.535 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.588 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.466 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' O ' HG23 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.449 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.48 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.676 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.466 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.462 ' HB2' HD22 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.453 ' HB3' ' HZ2' ' A' ' 119' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.561 HG21 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.509 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.225 -0.222 0 CA-C-O 120.554 0.216 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.681 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 27' ' ' LEU . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.594 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.537 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.535 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.598 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.476 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.0 mp . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD12 HG13 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 54' ' ' ILE . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.54 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 30.4 m80 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.545 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.5 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' HD11 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.401 HG23 HG21 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.772 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG2' HD12 ' A' ' 54' ' ' ILE . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.42 ' HB3' HG21 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.574 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.675 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.574 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.663 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 pt? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.698 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 77' ' ' ILE . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.503 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG3' HD21 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 70' ' ' ILE . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.77 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.418 HG23 HD22 ' A' ' 62' ' ' LEU . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 57' ' ' SER . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' HD21 ' A' ' 73' ' ' LEU . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 120.479 0.18 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.775 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.775 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.551 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.619 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.717 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HB3' HD11 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.568 HD11 HD22 ' A' ' 73' ' ' LEU . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.551 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.691 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.691 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.823 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.547 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 111.328 0.122 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' HD12 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' H ' ' HG2' ' A' ' 20' ' ' GLU . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 54' ' ' ILE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' HD21 ' A' ' 10' ' ' LEU . 45.9 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.613 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.613 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD11 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.671 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.531 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 HD11 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB3' HG21 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.627 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' O ' HG22 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.433 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.495 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.783 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.783 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HB ' HG21 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.546 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.513 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.43 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.526 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.454 HG23 HG22 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.589 HD21 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HG3' HD21 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.631 ' HD2' ' HB3' ' A' ' 68' ' ' ASP . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.631 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.535 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.431 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 73' ' ' LEU . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.501 HG23 HG21 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.587 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' ' 58' ' ' VAL . 6.2 mp . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 78' ' ' LYS . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.627 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.65 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.65 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.607 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.627 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.503 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.415 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.605 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.737 0.303 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 44' ' ' PHE . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.544 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.846 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.61 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.644 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.833 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.833 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 32' ' ' LYS . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 27' ' ' LEU . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HG2' HD12 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 70' ' ' ILE . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 87' ' ' ASP . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.408 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 120' ' ' ASP . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 30' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 65' ' ' LEU . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 120.532 0.206 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HD21 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 HD13 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.65 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.411 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 121' ' ' THR . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 11.1 pm0 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 117' ' ' LYS . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.515 HG23 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.5 pt? . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.726 0.298 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.865 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' HG3' HD21 ' A' ' 10' ' ' LEU . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.865 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HB ' HG21 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.485 HG23 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.692 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 8' ' ' GLU . 1.5 pt? . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' A' ' 71' ' ' LYS . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.905 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.865 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.865 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.419 ' CE2' HD11 ' A' ' 98' ' ' LEU . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 94' ' ' TYR . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.465 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.42 HD12 HD22 ' A' ' 65' ' ' LEU . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 73' ' ' LEU . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.771 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.868 HG12 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD11 HG12 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.763 HG23 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CG ' HD13 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HG2' ' A' ' 32' ' ' LYS . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.459 HD11 HD21 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 115' ' ' LEU . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.528 HD11 HD22 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.763 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.618 ' O ' HG22 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 65' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.441 HG23 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.481 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.854 HG13 HD12 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.762 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.854 HD12 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 31' ' ' LEU . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.624 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.662 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.444 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.819 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.658 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.662 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' HD12 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HG3' HD21 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.664 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD22 ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.507 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HE2' ' HE3' ' A' ' 76' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.573 HG23 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.518 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.505 ' SD ' ' HD3' ' A' ' 6' ' ' PRO . 53.6 tpp -174.15 140.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.56 36.01 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.764 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.435 ' H ' ' HG3' ' A' ' 3' ' ' MET . 7.9 p 43.25 78.72 0.37 Allowed Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 123.533 0.733 . . . . 0.0 112.681 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' HD3' ' SD ' ' A' ' 3' ' ' MET . 5.7 Cg_exo -76.08 -15.48 18.42 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.831 2.354 . . . . 0.0 112.323 -175.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? -65.29 -26.96 68.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.867 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.681 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 27' ' ' LEU . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.594 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' OE1' ' HG2' ' A' ' 3' ' ' MET . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.537 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.535 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.598 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.476 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.64 99.76 0.34 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 175.54 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.248 -171.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 19.04 7.74 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.299 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 51.68 80.65 0.29 Allowed Pre-proline 0 C--O 1.232 0.155 0 C-N-CA 123.352 0.661 . . . . 0.0 111.65 -178.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 0.31 9.02 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.545 2.163 . . . . 0.0 112.409 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 5' ' ' THR . 7.0 mp -60.97 -45.85 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD12 HG13 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 54' ' ' ILE . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.54 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 30.4 m80 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.545 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.5 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' HD11 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.401 HG23 HG21 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.66 57.11 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.181 0.515 . . . . 0.0 111.349 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.24 99.14 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 95.9 0.91 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.22 110.19 1.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.83 -6.7 12.39 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.93 2.42 . . . . 0.0 112.269 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.772 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG2' HD12 ' A' ' 54' ' ' ILE . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.42 ' HB3' HG21 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.574 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.675 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.574 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.663 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.37 86.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.552 0.341 . . . . 0.0 111.698 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.5 tpt -89.93 9.55 27.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.178 0.513 . . . . 0.0 110.326 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -39.45 2.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.514 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.2 p 43.75 75.31 0.66 Allowed Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 123.803 0.841 . . . . 0.0 112.039 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.77 -19.95 26.87 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.3 pt? -61.36 -45.03 96.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.227 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.698 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 77' ' ' ILE . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.503 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG3' HD21 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 70' ' ' ILE . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.77 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.418 HG23 HD22 ' A' ' 62' ' ' LEU . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 57' ' ' SER . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' HD21 ' A' ' 73' ' ' LEU . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.21 -21.55 46.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.8 tpp -78.91 104.8 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.873 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 85.04 1.29 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.37 108.15 0.47 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 123.929 0.891 . . . . 0.0 112.198 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 20.8 Cg_endo -60.43 -34.95 92.58 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.634 2.889 . . . . 0.0 113.991 -169.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.6 pt? -63.48 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.979 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.775 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.775 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.551 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.619 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HG3' ' HB2' ' A' ' 6' ' ' PRO . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.717 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HB3' HD11 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.568 HD11 HD22 ' A' ' 73' ' ' LEU . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.551 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.691 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.691 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.823 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.547 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.17 49.72 16.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.527 ' HG2' ' HA ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -64.92 105.89 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.087 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.03 88.29 1.33 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 169.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.9 p -43.18 103.73 0.33 Allowed Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -86.26 -19.12 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp -76.82 -26.38 54.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' HD12 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' H ' ' HG2' ' A' ' 20' ' ' GLU . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 54' ' ' ILE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' HG2' ' A' ' 3' ' ' MET . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' HD21 ' A' ' 10' ' ' LEU . 6.1 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.613 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.613 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD11 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 91.37 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 110.043 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt -163.39 125.35 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.514 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.6 101.95 1.24 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.23 107.31 0.75 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.854 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 88.9 Cg_endo -86.13 -25.1 1.49 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.656 2.238 . . . . 0.0 112.596 -178.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp -68.61 -28.0 66.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.947 -175.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HE2' ' HA ' ' A' ' 6' ' ' PRO . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 HD11 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB3' HG21 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.627 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' O ' HG22 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.433 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.495 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.96 33.77 12.09 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.828 0.451 . . . . 0.0 111.819 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 tpp -169.76 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.499 0.666 . . . . 0.0 110.657 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.78 -70.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -173.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -135.29 78.09 52.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.202 0.525 . . . . 0.0 110.109 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.47 -20.76 9.31 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.517 2.145 . . . . 0.0 113.018 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.26 -22.85 64.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.184 -173.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.783 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.783 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HB ' HG21 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.546 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.513 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.43 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.526 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.454 HG23 HG22 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' HA3' ' OD1' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.52 110.08 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 0.0 111.421 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.53 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 11.0 tpt -89.75 -39.51 13.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -136.57 12.91 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.25 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.3 p -132.09 73.87 77.38 Favored Pre-proline 0 C--N 1.319 -0.724 0 O-C-N 122.442 -0.446 . . . . 0.0 111.681 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.16 -28.57 10.66 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.237 1.958 . . . . 0.0 110.443 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -71.0 -31.97 68.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.693 -177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.589 HD21 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.53 ' HB3' ' HB2' ' A' ' 3' ' ' MET . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HG3' HD21 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.631 ' HD2' ' HB3' ' A' ' 68' ' ' ASP . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.631 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.535 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.431 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 73' ' ' LEU . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.501 HG23 HG21 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.587 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.16 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 173.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 4' ' ' GLY . 10.7 ptm -119.24 -176.32 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.11 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 3' ' ' MET . . . -56.84 144.64 38.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 172.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.2 p -41.0 100.46 0.22 Allowed Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -172.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.47 -13.47 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.732 2.288 . . . . 0.0 112.898 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' ' 58' ' ' VAL . 6.2 mp -65.47 -40.89 93.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.699 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.46 HG23 ' HG2' ' A' ' 78' ' ' LYS . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.627 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.65 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.65 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.607 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.627 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.503 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.415 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.605 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.47 3.9 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.7 ptm -70.69 -18.85 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 0.0 111.441 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . 84.65 106.93 0.62 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.25 107.49 4.12 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 4' ' ' GLY . 6.8 Cg_exo -74.37 -17.82 20.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.945 2.43 . . . . 0.0 111.281 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.99 -19.61 61.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.326 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 6' ' ' PRO . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 44' ' ' PHE . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.544 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.846 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.61 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.644 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 103.72 16.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.09 0.471 . . . . 0.0 110.787 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.512 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 3.3 mmt -87.01 -24.62 24.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 13.74 82.81 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.595 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 17.7 p 40.4 77.32 0.43 Allowed Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.806 0.842 . . . . 0.0 112.567 -178.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' HG2' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -74.93 -15.89 20.68 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.446 2.097 . . . . 0.0 113.151 -176.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HG2' ' A' ' 6' ' ' PRO . 7.4 mp -76.87 -45.72 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 -176.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 5' ' ' THR . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.833 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.833 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 32' ' ' LYS . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.72 -46.61 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.224 . . . . 0.0 110.711 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt 64.97 -76.76 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.925 0.765 . . . . 0.0 111.955 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.65 -131.56 5.69 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 8' ' ' GLU . 3.3 p -127.56 85.07 61.69 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.954 0.377 . . . . 0.0 111.644 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.16 -23.63 5.14 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.309 2.006 . . . . 0.0 111.936 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.7 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.1 pt? -88.72 -5.42 58.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.561 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 5' ' ' THR . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 27' ' ' LEU . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HG2' HD12 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 70' ' ' ILE . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 87' ' ' ASP . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.408 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 120' ' ' ASP . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.33 144.99 30.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.63 0.252 . . . . 0.0 110.743 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.5 ptp -86.86 8.3 23.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.245 0.545 . . . . 0.0 110.004 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.44 -80.8 0.33 Allowed Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -136.86 87.51 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.137 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HD2' HD13 ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.86 -16.0 18.6 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 123.061 2.508 . . . . 0.0 113.782 -172.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD13 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -96.45 -25.04 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.755 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 30' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 65' ' ' LEU . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.82 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.024 0.44 . . . . 0.0 110.095 -178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.783 ' HG3' ' HD3' ' A' ' 6' ' ' PRO . 33.3 tpp -83.72 -37.7 22.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.52 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.37 8.66 32.81 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.2 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p 46.65 76.38 0.55 Allowed Pre-proline 0 N--CA 1.464 0.272 0 C-N-CA 123.178 0.591 . . . . 0.0 111.961 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.783 ' HD3' ' HG3' ' A' ' 3' ' ' MET . 46.7 Cg_endo -68.81 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.821 2.347 . . . . 0.0 111.421 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.5 pp -63.75 -14.62 54.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.284 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HD21 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 HD13 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.65 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.411 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 121' ' ' THR . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 11.1 pm0 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 117' ' ' LYS . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.515 HG23 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.25 82.13 6.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -164.11 134.61 4.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.059 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 86.93 0.77 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -44.55 102.78 0.3 Allowed Pre-proline 0 N--CA 1.464 0.235 0 C-N-CA 123.569 0.748 . . . . 0.0 112.531 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.603 ' HB2' ' NE2' ' A' ' 59' ' ' GLN . 98.9 Cg_endo -85.29 -21.04 3.11 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.774 2.316 . . . . 0.0 112.743 -175.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -65.5 -42.69 91.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.253 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.865 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' A' ' 6' ' ' PRO . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.865 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HB ' HG21 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.485 HG23 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.692 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.46 63.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.1 tpt -132.89 127.57 34.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.88 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.65 102.8 0.86 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -52.77 109.0 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.192 0.52 . . . . 0.0 112.064 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.44 -27.7 33.28 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.742 2.295 . . . . 0.0 111.746 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? -70.64 -42.76 70.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.571 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' A' ' 71' ' ' LYS . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.905 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.865 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.865 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.419 ' CE2' HD11 ' A' ' 98' ' ' LEU . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 94' ' ' TYR . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.465 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.42 HD12 HD22 ' A' ' 65' ' ' LEU . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 73' ' ' LEU . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.18 101.48 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.716 ' HG2' ' HD3' ' A' ' 6' ' ' PRO . 39.5 ttm -103.52 -38.59 7.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 0.0 111.036 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.41 31.1 52.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.602 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p 41.12 88.76 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.94 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 86.1 Cg_endo -75.15 -0.73 10.37 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.552 2.168 . . . . 0.0 113.413 -170.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp -71.58 -64.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.94 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.771 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.868 HG12 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD11 HG12 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.763 HG23 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CG ' HD13 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HG2' ' A' ' 32' ' ' LYS . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.459 HD11 HD21 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 115' ' ' LEU . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.528 HD11 HD22 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.763 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.618 ' O ' HG22 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 65' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.441 HG23 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.481 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.79 94.26 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.047 0.451 . . . . 0.0 111.066 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.476 ' HG3' ' H ' ' A' ' 5' ' ' THR . 10.3 ptp -119.52 -25.85 5.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.049 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.94 25.25 72.05 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.171 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 35.7 p 46.73 78.53 0.39 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.156 0.582 . . . . 0.0 111.593 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HG2' HD22 ' A' ' 7' ' ' LEU . 16.9 Cg_endo -56.9 -32.88 93.72 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.991 2.46 . . . . 0.0 112.855 -173.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? -69.36 -49.92 51.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 178.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 5' ' ' THR . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.854 HG13 HD12 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.762 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.854 HD12 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 31' ' ' LEU . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.624 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.662 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.444 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.819 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.658 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.662 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.918 ' HA3' ' HB2' ' A' ' 51' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.29 93.84 2.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.511 ' HG2' ' HG3' ' A' ' 6' ' ' PRO . 3.0 tpt -159.35 165.89 32.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' H ' ' HE2' ' A' ' 3' ' ' MET . . . -96.13 -106.96 2.28 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.382 174.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 2.4 p -130.25 94.57 30.0 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.794 0.33 . . . . 0.0 111.109 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.686 ' HD2' HD23 ' A' ' 7' ' ' LEU . 4.8 Cg_exo -77.71 -32.7 2.62 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.647 2.232 . . . . 0.0 112.242 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -78.56 -5.64 53.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.781 -173.645 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 5' ' ' THR . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' HD12 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.918 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HG3' HD21 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.664 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD22 ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.507 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HE2' ' HE3' ' A' ' 76' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.573 HG23 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.518 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.225 -0.222 0 CA-C-O 120.554 0.216 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.681 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 27' ' ' LEU . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.594 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.537 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.535 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.598 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.476 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.0 mp . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD12 HG13 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 54' ' ' ILE . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.54 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 81.5 m-70 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.545 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 80' ' ' ASN . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.438 HD21 ' HD2' ' A' ' 76' ' ' LYS . 83.0 m-20 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.5 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' HD11 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.401 HG23 HG21 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.772 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG2' HD12 ' A' ' 54' ' ' ILE . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.42 ' HB3' HG21 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.574 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.675 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.574 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.663 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 pt? . . . . . 0 N--CA 1.456 -0.159 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.698 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 77' ' ' ILE . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.503 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG3' HD21 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 70' ' ' ILE . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.77 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.418 HG23 HD22 ' A' ' 62' ' ' LEU . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 57' ' ' SER . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' HD21 ' A' ' 73' ' ' LEU . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? . . . . . 0 C--O 1.228 -0.054 0 CA-C-O 120.479 0.18 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.775 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.775 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.551 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.619 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.717 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HB3' HD11 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.568 HD11 HD22 ' A' ' 73' ' ' LEU . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.551 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.691 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.691 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.823 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.547 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 111.328 0.122 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' HD12 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' H ' ' HG2' ' A' ' 20' ' ' GLU . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 54' ' ' ILE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' HD21 ' A' ' 10' ' ' LEU . 45.9 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.613 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.613 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.528 HD11 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.671 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.531 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 HD11 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB3' HG21 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.522 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.627 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' O ' HG22 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.433 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.495 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD12 ' HB3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.783 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.783 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.444 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HB ' HG21 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.546 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.513 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.43 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.526 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.454 HG23 HG22 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.589 HD21 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 m120 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HG3' HD21 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.631 ' HD2' ' HB3' ' A' ' 68' ' ' ASP . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.631 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.535 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.431 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 73' ' ' LEU . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.501 HG23 HG21 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.587 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' ' 58' ' ' VAL . 6.2 mp . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.99 0.424 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.483 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.1 p-10 -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.627 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.65 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.65 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.607 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.627 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.503 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.415 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.605 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.448 -0.532 0 CA-C-O 120.737 0.303 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 2.4 p-10 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.448 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 44' ' ' PHE . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.481 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.544 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.846 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.61 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.644 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.833 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.833 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 32' ' ' LYS . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 2.1 pt? . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.746 0.308 . . . . 0.0 111.561 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 27' ' ' LEU . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HG2' HD12 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 70' ' ' ILE . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 87' ' ' ASP . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.408 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 120' ' ' ASP . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.175 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' A' ' 15' ' ' ASN . 9.4 m120 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 20' ' ' GLU . 1.9 p-10 -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 30' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 65' ' ' LEU . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 CA--C 1.534 0.333 0 CA-C-O 120.532 0.206 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HD21 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 HD13 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.65 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.411 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 121' ' ' THR . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 117' ' ' LYS . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.515 HG23 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.5 pt? . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.726 0.298 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.865 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.4 m120 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.517 ' HG3' HD21 ' A' ' 10' ' ' LEU . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.865 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HB ' HG21 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.541 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.485 HG23 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.692 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 8' ' ' GLU . 1.5 pt? . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 110.571 -0.159 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' A' ' 71' ' ' LYS . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.905 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.865 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.865 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.419 ' CE2' HD11 ' A' ' 98' ' ' LEU . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 94' ' ' TYR . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.465 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.42 HD12 HD22 ' A' ' 65' ' ' LEU . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 73' ' ' LEU . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.771 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.868 HG12 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.868 HD11 HG12 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.763 HG23 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CG ' HD13 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HG2' ' A' ' 32' ' ' LYS . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.459 HD11 HD21 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 115' ' ' LEU . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.528 HD11 HD22 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.763 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.618 ' O ' HG22 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 65' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.441 HG23 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.481 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.854 HG13 HD12 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.762 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.854 HD12 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 31' ' ' LEU . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.624 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.523 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.662 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.444 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.819 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.658 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.662 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' HD12 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HG3' HD21 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.664 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD22 ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.507 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HE2' ' HE3' ' A' ' 76' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.573 HG23 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.518 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.01 125.15 37.46 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.505 ' SD ' ' HD3' ' A' ' 6' ' ' PRO . 53.6 tpp -174.15 140.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.56 36.01 2.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.028 -0.606 . . . . 0.0 111.764 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.435 ' H ' ' HG3' ' A' ' 3' ' ' MET . 7.9 p 43.25 78.72 0.37 Allowed Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 123.533 0.733 . . . . 0.0 112.681 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.505 ' HD3' ' SD ' ' A' ' 3' ' ' MET . 5.7 Cg_exo -76.08 -15.48 18.42 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.831 2.354 . . . . 0.0 112.323 -175.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.6 pt? -65.29 -26.96 68.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.867 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.45 -16.62 63.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.728 0.299 . . . . 0.0 111.534 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -78.02 -34.53 50.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.121 0.486 . . . . 0.0 110.209 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.681 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.3 pp -90.39 -26.64 19.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.665 178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 16' ' ' LEU . 40.6 t -57.63 -34.17 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.258 173.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -66.49 -35.08 79.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.169 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.3 ptm180 -80.62 -13.25 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.19 0.519 . . . . 0.0 110.898 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.1 mt -82.72 -16.06 49.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.883 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 56.23 75.47 0.34 Allowed 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.987 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.683 HD12 HG13 ' A' ' 11' ' ' VAL . 76.3 mt -102.74 142.16 34.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 8.6 p30 -98.41 -179.12 4.24 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.942 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.97 -33.84 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.301 0.376 . . . . 0.0 111.477 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -70.37 -37.48 74.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.396 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.3 mm-40 -79.11 -46.55 17.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.586 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -61.61 -40.67 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.798 -176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.89 -41.58 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.732 0.301 . . . . 0.0 110.847 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 m -65.94 -40.96 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.97 -40.63 91.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 0.0 110.136 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 m -63.46 -46.76 84.74 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -54.39 -48.83 71.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -55.84 -58.5 7.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.393 179.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.5 m -59.36 -37.31 77.56 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.058 -176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -31.15 59.84 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -176.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.4 pp -74.16 -35.63 64.03 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 27' ' ' LEU . 8.4 mp -55.85 -49.33 73.61 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.684 171.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.53 -1.55 11.34 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.005 0.431 . . . . 0.0 111.126 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -102.91 -46.87 4.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.738 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.5 mmtm -99.18 -30.97 11.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.72 -13.46 62.39 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.824 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.53 -8.37 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.106 0.479 . . . . 0.0 110.483 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -94.22 125.08 53.81 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.022 175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -61.76 -12.51 25.66 Favored 'Trans proline' 0 CA--C 1.533 0.454 0 C-N-CA 122.706 2.271 . . . . 0.0 113.459 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -84.46 -22.88 30.16 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.284 0.564 . . . . 0.0 109.847 177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.1 mt -107.55 -42.8 6.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.399 -175.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.72 58.97 0.43 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 177.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.91 -42.8 94.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 93.2 m-70 -78.52 -38.3 40.93 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -53.92 -57.2 11.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.528 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -59.81 -40.91 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.368 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -86.55 -6.54 58.86 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.337 -0.392 . . . . 0.0 112.027 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 t -98.39 -17.44 18.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.226 0.536 . . . . 0.0 109.787 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 173.76 -54.31 0.15 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.104 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.31 36.82 29.68 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.637 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.594 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 3.9 m-20 -117.66 141.25 48.6 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -56.09 -35.79 67.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.423 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 47.7 m -73.78 -17.01 61.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.73 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.594 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 40.4 mmtm -65.78 -29.57 70.08 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.244 0.545 . . . . 0.0 109.746 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD23 ' A' ' 31' ' ' LEU . 74.1 mt -73.03 -40.88 59.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.617 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' OE1' ' HG2' ' A' ' 3' ' ' MET . 36.7 mt-10 -68.92 -24.27 64.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.825 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -82.52 -43.8 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.765 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.6 p -65.74 -49.14 69.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.734 -173.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.2 t -54.03 -39.84 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.058 0.456 . . . . 0.0 110.494 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -64.55 -54.03 38.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.973 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -66.13 -32.16 73.45 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.065 0.459 . . . . 0.0 110.783 -177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.8 t80 -60.08 -59.37 5.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.325 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 75.6 mt -70.49 -26.23 63.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.701 -174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.26 -33.57 75.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.321 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -89.32 8.05 32.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.6 mt -105.26 -177.55 3.4 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.234 0.54 . . . . 0.0 110.922 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -94.57 150.68 20.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.485 172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.04 -40.15 88.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.165 0.507 . . . . 0.0 110.04 -179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.97 -22.17 59.73 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.409 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -78.51 -29.66 46.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.893 0.378 . . . . 0.0 110.501 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.89 -47.44 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -53.81 -49.03 69.25 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.84 -49.15 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.143 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.597 ' HB2' HD11 ' A' ' 115' ' ' LEU . 47.0 tp -58.88 -57.88 11.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.324 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -58.22 -40.5 81.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.685 -176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.04 97.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.076 0.465 . . . . 0.0 110.678 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' ' 119' ' ' LYS . 57.2 tptt -63.28 -53.0 59.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.454 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 73' ' ' LEU . 37.4 mt -58.33 -43.58 86.54 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.452 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.537 ' HG2' ' OD1' ' A' ' 82' ' ' ASP . 6.6 ttpp -55.15 -60.28 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.009 -177.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.91 -40.63 85.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.327 -175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.578 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 92.5 m-20 -64.01 -48.02 77.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.17 0.509 . . . . 0.0 110.546 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -54.62 -54.79 36.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.708 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.537 ' OD1' ' HG2' ' A' ' 78' ' ' LYS . 69.1 m-20 -61.06 -27.86 68.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.386 -0.824 . . . . 0.0 112.677 -174.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 80' ' ' ASN . 63.8 pttt -90.07 -19.94 23.78 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.056 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HE3' HG13 ' A' ' 122' ' ' ILE . 63.3 mttm -100.44 -20.17 15.9 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.37 -11.24 60.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.186 0.517 . . . . 0.0 110.139 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -64.15 -26.17 68.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.489 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.4 OUTLIER -127.3 103.22 22.97 Favored Pre-proline 0 N--CA 1.45 -0.443 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.812 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 10.2 Cg_endo -50.81 -39.12 58.26 Favored 'Trans proline' 0 CA--C 1.529 0.254 0 C-N-CA 123.453 2.769 . . . . 0.0 113.483 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -73.14 -38.82 66.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -66.64 -43.11 85.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.878 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.44 -38.38 89.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.467 175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -58.63 -45.61 88.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 m -62.43 -42.0 99.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.448 177.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.481 ' CE2' HD11 ' A' ' 98' ' ' LEU . 39.9 t80 -59.99 -50.38 73.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 30' ' ' LEU . 56.0 mtpt -55.34 -39.91 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.754 176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.9 t -63.13 -47.49 82.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.313 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 93' ' ' THR . 52.6 mt -62.64 -44.73 99.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.905 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.481 HD11 ' CE2' ' A' ' 94' ' ' TYR . 92.0 mt -53.6 -51.43 63.05 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 177.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.38 -42.88 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.443 -177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 60.1 p -64.55 -22.02 66.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.871 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.72 -38.41 8.12 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.6 -0.809 . . . . 0.0 111.827 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.579 ' O ' HG22 ' A' ' 105' ' ' ILE . 82.9 t80 -68.17 -30.74 69.93 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 28.8 t70 -49.36 -26.99 3.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.416 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.37 -30.64 61.78 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.07 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.92 -29.86 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-O 120.927 0.394 . . . . 0.0 111.256 -176.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -76.39 -3.05 34.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.059 0.457 . . . . 0.0 110.929 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 7.1 t30 -116.7 33.17 5.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.451 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 60.82 40.32 16.05 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.583 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -91.23 145.12 24.93 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.849 -1.069 . . . . 0.0 110.33 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -66.69 148.84 51.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.857 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.9 m -68.28 -36.88 80.05 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.052 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -76.71 -37.79 55.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 109.785 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.0 m -64.2 -29.05 70.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.078 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.535 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 20.6 m -89.77 -27.36 20.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.231 0.539 . . . . 0.0 110.145 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.597 HD11 ' HB2' ' A' ' 73' ' ' LEU . 53.6 tp -65.29 -46.49 80.2 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.976 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.598 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 82.8 m-20 -57.47 -32.26 66.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.791 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.535 ' HD2' ' HA ' ' A' ' 114' ' ' THR . 45.0 mttp -62.62 -47.39 83.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.995 0.426 . . . . 0.0 110.564 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.3 mt -70.53 -40.04 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.912 -177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 10.1 ptpt -79.25 -14.58 58.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.961 0.41 . . . . 0.0 110.643 -177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.68 26.92 9.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.245 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.4 m -68.66 -68.35 0.4 Allowed 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.476 HG13 ' HE3' ' A' ' 84' ' ' LYS . 26.7 mm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.662 -0.685 . . . . 0.0 110.077 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.64 99.76 0.34 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.952 0.406 . . . . 0.0 110.164 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.7 tpt 175.54 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.248 -171.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.34 19.04 7.74 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.299 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 HG22 HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 51.68 80.65 0.29 Allowed Pre-proline 0 C--O 1.232 0.155 0 C-N-CA 123.352 0.661 . . . . 0.0 111.65 -178.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 0.31 9.02 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.545 2.163 . . . . 0.0 112.409 -176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 HD13 HG22 ' A' ' 5' ' ' THR . 7.0 mp -60.97 -45.85 93.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.103 0.478 . . . . 0.0 110.484 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -65.96 -16.81 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.672 -175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -77.08 -19.95 56.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.172 0.51 . . . . 0.0 110.461 -173.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.0 pp -106.15 -30.55 9.16 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.539 ' N ' HD12 ' A' ' 10' ' ' LEU . 79.2 t -58.24 -38.43 68.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 121.171 0.51 . . . . 0.0 110.653 176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -68.09 -30.07 69.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 20.3 ptp180 -84.67 -17.09 39.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.041 0.448 . . . . 0.0 110.317 -178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 76.4 mt -84.37 -31.31 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 59.29 68.8 0.77 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.314 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD12 HG13 ' A' ' 11' ' ' VAL . 87.5 mt -81.31 144.51 31.46 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.599 -174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.6 173.94 6.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.346 -177.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -48.28 -37.31 15.96 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.532 0.52 . . . . 0.0 112.389 -173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.2 m -74.07 -26.43 60.38 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 -174.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.17 -45.16 9.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.56 0.695 . . . . 0.0 109.893 -177.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.18 -44.43 84.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.361 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -65.07 -36.76 85.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.065 0.46 . . . . 0.0 111.068 -177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 74' ' ' LEU . 49.0 m -67.62 -44.35 78.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.63 -39.32 90.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.778 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.6 m -59.13 -46.52 88.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -58.62 -47.71 83.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.087 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -60.58 -55.24 35.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 -178.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 m -58.33 -34.2 70.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.59 -177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -71.55 -42.54 67.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.395 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -69.95 -22.74 63.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.922 0.391 . . . . 0.0 110.675 -178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.0 mt -69.15 -44.06 73.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.253 177.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' HD12 ' A' ' 54' ' ' ILE . 98.6 mttt -75.49 -1.01 22.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.065 0.459 . . . . 0.0 110.687 176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.54 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.4 tt0 -99.27 -48.3 4.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.274 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HB3' HG21 ' A' ' 40' ' ' ILE . 42.6 mmtm -95.49 -35.52 11.66 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -174.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.51 -13.42 62.03 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.02 -4.69 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.025 0.44 . . . . 0.0 110.932 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -95.18 130.63 31.96 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 -13.41 39.59 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.849 2.366 . . . . 0.0 113.421 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -94.07 -22.31 18.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 0.0 110.268 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.535 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.0 mt -96.78 -45.56 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.737 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.34 61.74 1.5 Allowed Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -64.34 -42.83 96.06 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 103' ' ' ASP . 81.5 m-70 -89.85 -32.67 16.79 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.533 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -56.19 -54.15 48.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.088 176.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -64.5 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -89.19 8.93 27.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.981 0.42 . . . . 0.0 111.047 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -118.81 8.87 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.392 0.615 . . . . 0.0 109.477 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.62 -31.2 2.78 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.813 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.74 46.57 93.83 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.126 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -133.12 144.99 50.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.743 0.306 . . . . 0.0 110.207 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -63.41 -27.66 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.487 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.1 t -62.73 -34.61 77.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.058 0.456 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -68.88 -23.78 64.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 mt -69.48 -58.0 6.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.824 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.63 -34.56 77.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.457 -176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -72.34 -30.3 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.672 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -74.94 -40.7 60.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.572 177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 54' ' ' ILE . 62.1 t -57.24 -37.54 56.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 CA-C-O 121.285 0.564 . . . . 0.0 109.562 173.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.545 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -63.42 -54.92 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.4 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -57.5 -39.96 77.64 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.09 0.472 . . . . 0.0 110.034 179.063 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.545 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 t80 -55.03 -57.76 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.43 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 45.8 mt -74.84 -27.21 60.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.509 -174.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 t -65.0 -42.07 94.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.842 -176.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -87.42 -2.9 58.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 121.372 0.606 . . . . 0.0 111.383 -174.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 96.6 mt -86.98 -170.07 2.91 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.724 176.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HB2' ' HG2' ' A' ' 69' ' ' GLU . 14.8 mtmt -114.24 161.74 17.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.844 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 3.3 tm-20 -56.94 -43.48 81.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.845 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -73.86 -24.92 59.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.231 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' HG2' ' HB2' ' A' ' 66' ' ' LYS . 75.8 mm-40 -71.45 -44.65 64.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.367 0.603 . . . . 0.0 110.418 178.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.42 -39.63 85.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.954 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 26.6 mmtp -64.68 -44.78 89.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.106 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -56.57 -42.79 79.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.505 0.669 . . . . 0.0 109.828 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 HD11 ' HB2' ' A' ' 118' ' ' LEU . 56.1 tp -62.48 -60.33 3.69 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.459 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' O ' HG21 ' A' ' 23' ' ' THR . 98.7 mt -60.86 -39.42 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.117 -173.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 -34.69 78.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HD2' HD21 ' A' ' 80' ' ' ASN . 5.3 tmtp? -71.85 -47.0 56.06 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.191 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 73' ' ' LEU . 56.2 mt -58.72 -43.75 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -61.25 -52.78 63.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.823 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -55.72 -44.88 77.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.925 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.438 HD21 ' HD2' ' A' ' 76' ' ' LYS . 83.0 m-20 -65.66 -42.26 91.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.779 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -56.05 -53.31 58.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.413 174.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.51 -22.83 64.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.761 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -79.82 -45.62 18.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 0.0 110.999 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 67.1 mttm -87.32 -15.35 38.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.12 -170.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.22 -3.33 26.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.967 0.413 . . . . 0.0 110.968 -177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.6 tttm -62.19 -45.65 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.44 0.638 . . . . 0.0 109.536 171.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 4.1 m-20 -110.31 114.74 55.21 Favored Pre-proline 0 N--CA 1.445 -0.717 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.765 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.63 -44.12 36.87 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.105 2.537 . . . . 0.0 113.17 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -70.29 -29.49 66.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.519 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -67.08 -50.23 62.4 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.032 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.44 -37.08 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.737 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -61.65 -41.99 98.29 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.483 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 97' ' ' ILE . 26.2 m -70.49 -38.75 74.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.462 178.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.2 t80 -55.67 -52.22 64.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.501 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.54 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 82.8 mttt -47.03 -44.92 20.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.419 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -66.84 -43.12 84.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.691 -175.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 93' ' ' THR . 44.2 mt -66.44 -43.35 91.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.147 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 94' ' ' TYR . 80.5 mt -56.4 -51.31 68.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.761 176.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.242 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.9 t -66.39 -27.49 67.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.022 0.439 . . . . 0.0 110.381 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.39 -40.74 18.45 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.642 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.8 t80 -69.25 -40.25 77.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 33.0 t70 -44.75 -31.71 1.29 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.769 0.827 . . . . 0.0 112.636 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.81 -29.6 55.11 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.858 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.525 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.7 tt -62.25 -27.53 42.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.751 0.31 . . . . 0.0 111.511 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -72.52 -12.81 61.23 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.951 0.405 . . . . 0.0 110.593 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -98.15 22.61 9.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.739 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 73.87 31.64 1.19 Allowed 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.204 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -81.66 151.92 27.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.466 0.65 . . . . 0.0 111.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.62 154.57 38.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.955 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.404 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.1 m -90.08 -24.49 21.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.166 -175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -71.0 -41.04 71.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.2 t -71.23 -37.54 72.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.66 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 21.9 m -71.08 -29.86 65.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.309 177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 73' ' ' LEU . 4.9 tt -55.99 -47.67 77.28 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.5 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 19.6 m-80 -63.29 -39.07 93.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.349 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -55.15 -50.47 69.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.844 0.354 . . . . 0.0 111.092 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.537 ' HB2' HD11 ' A' ' 73' ' ' LEU . 69.0 mt -68.03 -28.14 67.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.557 -175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.2 ptpt -86.45 -29.18 23.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.275 0.559 . . . . 0.0 110.643 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -106.4 18.63 21.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.216 -170.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.401 HG23 HG21 ' A' ' 97' ' ' ILE . 57.0 m -62.93 -63.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.995 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.0 pt . . . . . 0 C--O 1.25 1.098 0 C-N-CA 124.205 1.002 . . . . 0.0 113.11 -176.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.855 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.66 57.11 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.181 0.515 . . . . 0.0 111.349 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.24 99.14 3.39 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.61 95.9 0.91 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.22 110.19 1.97 Allowed Pre-proline 0 C--N 1.329 -0.3 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -81.83 -6.7 12.39 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.93 2.42 . . . . 0.0 112.269 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 6.8 mp -62.52 -39.98 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.203 0.525 . . . . 0.0 110.154 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.5 -13.49 60.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.65 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -75.63 -32.08 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -94.74 -28.49 15.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.537 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 7' ' ' LEU . 76.4 t -56.39 -30.31 30.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-O 121.395 0.616 . . . . 0.0 109.72 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -80.67 -11.31 59.65 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.277 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.772 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.3 ptm180 -95.0 -24.02 17.11 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.805 176.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 67' ' ' GLU . 3.9 mm? -79.86 -32.48 40.48 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 64.59 71.43 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.576 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 62.0 mt -87.92 154.47 20.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.019 177.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -113.88 -178.47 3.38 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -52.22 -31.8 33.75 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.071 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.6 m -62.51 -42.24 99.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.6 mp0 -81.94 -44.57 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.097 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -64.45 -39.54 94.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.139 -173.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.6 -41.0 98.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.044 0.45 . . . . 0.0 110.334 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 78' ' ' LYS . 29.2 m -67.72 -40.65 84.24 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -40.06 93.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.894 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.6 m -60.18 -48.43 81.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.11 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -58.87 -48.21 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 51.3 tp -58.07 -56.28 24.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.226 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 m -57.21 -36.51 70.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.865 0.364 . . . . 0.0 111.421 -178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -77.56 -32.77 54.01 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.7 pp -71.99 -37.97 69.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 27' ' ' LEU . 7.5 mp -53.85 -49.42 68.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.989 169.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG2' HD12 ' A' ' 54' ' ' ILE . 86.8 mttt -72.57 -2.78 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 111.698 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -98.38 -40.5 8.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.164 0.507 . . . . 0.0 110.17 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 52.9 mmtt -97.51 -41.57 8.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.371 -174.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.32 -15.08 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.85 -2.75 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.053 0.454 . . . . 0.0 110.457 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -98.1 129.94 29.72 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.295 175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.02 -12.54 35.15 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.822 2.348 . . . . 0.0 113.473 -176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -92.73 -20.84 20.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.164 0.507 . . . . 0.0 109.885 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.0 mt -102.72 -49.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.228 -178.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.89 59.03 3.98 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 42' ' ' LEU . 2.6 tm? -63.72 -37.64 88.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.171 0.51 . . . . 0.0 109.824 -176.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -90.48 -36.62 14.42 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.0 t80 -57.02 -54.51 45.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.632 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -63.19 -34.68 78.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.291 0.567 . . . . 0.0 111.39 -174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -98.28 -3.23 37.73 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.991 -169.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -119.68 0.97 11.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.119 0.485 . . . . 0.0 110.658 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.25 -58.67 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.072 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.8 33.63 87.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.312 -0.47 . . . . 0.0 113.04 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -138.75 148.04 43.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -54.61 -42.92 71.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.697 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 p -61.81 -28.64 69.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -176.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 52.8 mmtt -70.71 -26.96 63.63 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG13 ' CE2' ' A' ' 44' ' ' PHE . 81.9 mt -72.09 -47.73 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.36 -32.06 72.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.396 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 52' ' ' SER . 69.2 mt-10 -67.67 -41.09 84.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.988 0.423 . . . . 0.0 109.962 173.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.42 ' HB3' HG21 ' A' ' 105' ' ' ILE . 68.1 m -66.76 -43.88 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.305 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.7 t -57.71 -42.93 82.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.18 0.514 . . . . 0.0 110.17 176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -64.25 -46.81 82.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.57 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -64.45 -43.21 94.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.722 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.601 ' CE1' HD11 ' A' ' 65' ' ' LEU . 8.7 t80 -60.24 -58.69 7.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.022 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.5 mt -71.56 -23.62 61.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.06 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 t -68.7 -31.1 69.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.829 0.347 . . . . 0.0 110.775 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -94.08 10.5 33.44 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -175.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.0 mt -107.95 172.11 7.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.764 0.316 . . . . 0.0 111.117 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 46.4 mtmt -90.77 156.72 17.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.643 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -59.01 -43.71 91.6 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.728 -179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.38 -37.55 83.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.226 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 69.8 mt-10 -71.31 -37.39 71.78 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.632 -177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.37 -43.53 94.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.006 176.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmtm -52.78 -57.45 10.13 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.632 174.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -58.87 -43.91 90.97 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.758 0.313 . . . . 0.0 110.588 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 ' O ' HG13 ' A' ' 77' ' ' ILE . 38.9 tp -55.04 -64.22 0.91 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.051 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 23' ' ' THR . 91.3 mt -68.3 -27.7 66.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.772 -173.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.17 83.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.284 0.564 . . . . 0.0 109.942 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -70.8 -42.29 70.51 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.481 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.574 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 67.3 mt -58.97 -44.31 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 54.5 tttt -57.5 -55.54 33.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.304 0.573 . . . . 0.0 111.096 175.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.675 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 16.9 tt0 -68.32 -39.93 81.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.501 -172.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.06 -36.6 77.85 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -55.32 -53.87 50.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.073 0.464 . . . . 0.0 110.38 173.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.79 -33.58 70.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.319 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.675 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.2 mttm -74.05 -34.6 64.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.312 178.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.476 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 66.6 mttm -90.96 -21.51 21.29 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -173.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' CB ' HD22 ' A' ' 91' ' ' LEU . 11.5 pt-20 -72.71 -3.19 23.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.425 0.631 . . . . 0.0 110.454 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.93 -17.07 63.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.082 169.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 14.8 t70 -126.93 139.2 34.38 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.185 177.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.3 Cg_exo -58.71 -61.27 0.26 Allowed 'Trans proline' 0 C--N 1.329 -0.494 0 C-N-CA 122.551 2.168 . . . . 0.0 113.162 178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.61 -15.03 33.68 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.562 -0.455 . . . . 0.0 112.159 -170.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.539 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -69.71 -34.07 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 85' ' ' GLU . 68.7 tp -74.33 -37.47 63.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.926 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -63.76 -42.72 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.697 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.9 m -67.05 -35.46 79.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.396 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.574 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 35.4 t80 -56.33 -53.13 60.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.064 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -52.86 -43.36 66.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.069 0.462 . . . . 0.0 110.745 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -63.25 -42.34 99.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.601 -175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -61.91 -55.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.495 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 mp -54.95 -39.79 69.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.63 -44.04 75.05 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.3 t -67.62 -26.6 66.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.92 -44.18 31.62 Favored Glycine 0 N--CA 1.439 -1.148 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 105' ' ' ILE . 55.6 t80 -71.52 -35.54 70.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.364 0.126 . . . . 0.0 110.733 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -48.41 -27.32 2.54 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.333 0.653 . . . . 0.0 112.239 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.79 -29.58 67.68 Favored Glycine 0 CA--C 1.523 0.542 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.221 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 102' ' ' PHE . 6.7 tp -58.17 -31.18 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 121.063 0.459 . . . . 0.0 110.917 -177.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -73.01 -13.75 61.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.918 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -105.22 24.36 12.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.761 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 71.29 29.57 2.77 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.764 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.58 147.25 44.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.885 0.374 . . . . 0.0 110.089 174.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -70.53 148.85 47.76 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.041 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.3 m -74.39 -32.55 62.75 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.615 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -72.04 -45.24 61.56 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 45.3 m -60.31 -45.44 93.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.155 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.663 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 35.9 m -70.35 -33.37 71.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.625 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.439 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 22.3 tp -58.95 -47.94 83.29 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -53.34 -33.89 55.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.809 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.663 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 52.9 mtmt -74.02 -40.98 62.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.679 0.276 . . . . 0.0 111.515 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 73.2 mt -77.36 -37.9 51.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.286 0.565 . . . . 0.0 111.359 -176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -75.22 -26.98 59.35 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.448 -176.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.18 28.91 8.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.588 -176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 85.8 m -68.44 -51.68 41.07 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.357 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.253 1.251 0 O-C-N 123.82 0.7 . . . . 0.0 110.046 -179.419 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.37 86.53 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 122.552 0.341 . . . . 0.0 111.698 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.5 tpt -89.93 9.55 27.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.178 0.513 . . . . 0.0 110.326 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.55 -39.45 2.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.514 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.2 p 43.75 75.31 0.66 Allowed Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 123.803 0.841 . . . . 0.0 112.039 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.77 -19.95 26.87 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.624 2.216 . . . . 0.0 112.39 -176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.3 pt? -61.36 -45.03 96.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.227 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 48.2 mt-10 -66.41 -18.31 65.28 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 111.077 -178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -84.78 -23.1 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.745 -173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.698 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.8 pp -102.85 -27.83 12.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.613 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.542 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.2 t -54.8 -37.14 39.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.016 0.436 . . . . 0.0 110.716 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 p -69.17 -31.41 70.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.09 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptt180 -80.13 -18.02 50.95 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.689 0.281 . . . . 0.0 111.204 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.1 mm? -73.67 -17.68 61.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 173.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 59.57 69.37 0.72 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.779 178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.2 mt -93.76 156.35 16.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.433 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -101.14 171.67 7.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.066 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 27.9 p-10 -54.72 -32.62 59.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.882 -174.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -66.46 -39.87 89.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.573 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.0 mm-40 -74.06 -44.55 53.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.377 0.608 . . . . 0.0 109.892 -177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.2 mttt -70.56 -27.37 64.09 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.381 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 1.5 tm-20 -52.27 -49.95 63.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.501 0.667 . . . . 0.0 109.611 171.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.527 HG21 ' HB ' ' A' ' 77' ' ' ILE . 22.2 m -71.98 -40.82 68.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.829 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.37 -39.71 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.048 0.451 . . . . 0.0 109.819 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.6 m -59.87 -50.94 71.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.366 175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.76 -50.33 73.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.311 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -53.7 -55.91 22.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.478 -178.065 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -59.79 -38.97 83.41 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.947 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -76.03 -34.53 59.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.61 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.6 pp -71.48 -37.28 71.33 Favored 'General case' 0 C--N 1.334 -0.102 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.045 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 102' ' ' PHE . 8.2 mp -56.42 -47.9 78.07 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -68.9 -7.44 34.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 111.336 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -98.25 -39.69 8.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.41 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -103.59 -31.99 9.65 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -172.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.33 -15.35 62.86 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.761 -174.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.47 -2.96 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.463 0.649 . . . . 0.0 110.353 176.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.99 127.65 50.93 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.471 -0.786 . . . . 0.0 108.939 173.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -67.57 -7.38 19.11 Favored 'Trans proline' 0 CA--C 1.528 0.184 0 C-N-CA 122.919 2.413 . . . . 0.0 113.378 -174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -99.48 -24.2 14.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.839 0.352 . . . . 0.0 110.173 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.8 mt -96.04 -46.6 13.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.192 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.46 58.19 0.65 Allowed Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.75 -43.5 93.13 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 94.7 m-70 -75.83 -39.09 57.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' CE2' HG13 ' A' ' 54' ' ' ILE . 74.8 t80 -56.76 -55.56 32.71 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.475 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -58.31 -43.84 88.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.251 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -81.93 -9.15 59.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.396 -175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 t -88.05 -36.23 17.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.6 -37.34 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.404 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 70.73 34.46 66.59 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.321 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -120.2 145.46 46.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.667 0.27 . . . . 0.0 110.321 -176.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -56.25 -37.38 69.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.244 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -59.82 -30.19 68.76 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.307 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 28.6 mmtm -70.76 -29.57 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.971 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.503 HG13 ' CE2' ' A' ' 44' ' ' PHE . 92.9 mt -73.97 -43.24 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.252 0.548 . . . . 0.0 109.934 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.42 -23.09 61.79 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.634 179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.02 -50.15 24.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 170.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.554 ' HB2' HG21 ' A' ' 105' ' ' ILE . 11.8 p -62.97 -50.03 72.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.922 -172.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -55.46 -41.26 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 120.985 0.422 . . . . 0.0 110.437 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.558 ' HG3' HD21 ' A' ' 10' ' ' LEU . 42.9 tt0 -63.25 -56.69 14.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.974 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -67.56 -29.19 68.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.735 -175.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.1 t80 -61.72 -58.8 6.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.175 0.512 . . . . 0.0 110.307 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.418 HD22 HG23 ' A' ' 70' ' ' ILE . 67.4 mt -72.56 -24.2 61.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.369 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -64.58 -26.53 68.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.654 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.1 -4.58 52.07 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.626 0.25 . . . . 0.0 111.646 -178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 61' ' ' PHE . 76.0 mt -95.18 166.66 11.8 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.958 0.409 . . . . 0.0 111.055 -175.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.493 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 55.6 mttm -81.16 150.22 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.841 172.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.77 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.9 tm-20 -51.35 -46.92 62.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.657 0.598 . . . . 0.0 109.566 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -62.12 -40.17 95.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.745 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 58.5 mt-10 -69.11 -34.65 75.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.653 -176.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.418 HG23 HD22 ' A' ' 62' ' ' LEU . 78.2 mt -64.12 -42.37 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.074 175.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.77 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 10.6 mmmm -59.22 -53.47 57.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.721 179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -59.61 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 77' ' ' ILE . 0.5 OUTLIER -53.34 -61.29 2.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.911 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 23' ' ' THR . 91.5 mt -61.92 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.568 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -59.48 -41.87 90.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.834 -178.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -44.46 88.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -63.01 -38.32 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.151 0.5 . . . . 0.0 109.97 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.49 ' HB2' ' OG1' ' A' ' 23' ' ' THR . 9.4 tmtm? -60.41 -51.07 71.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.394 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.608 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.9 mt-10 -52.22 -54.21 33.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.821 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -61.38 -43.79 98.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.799 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -55.98 -55.27 34.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.828 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -22.59 66.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.319 -173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.34 -35.92 21.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 54.4 mttm -89.91 -20.71 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -173.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.5 pt-20 -69.11 -2.13 9.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.949 0.404 . . . . 0.0 111.411 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -63.49 -49.92 71.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.502 169.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.435 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 1.8 m-20 -104.66 116.7 60.56 Favored Pre-proline 0 N--CA 1.448 -0.539 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.517 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 87' ' ' ASP . 9.4 Cg_endo -50.32 -44.5 38.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 123.219 2.613 . . . . 0.0 113.152 -175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -76.22 -30.24 57.88 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.354 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 17.0 mm-40 -63.76 -47.88 79.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.239 0.542 . . . . 0.0 110.133 174.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.0 tm? -62.47 -45.89 91.0 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.716 177.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -52.82 -45.35 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.601 174.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.416 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.9 m -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.969 0.414 . . . . 0.0 110.055 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 98' ' ' LEU . 20.4 t80 -57.85 -51.69 68.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.077 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.525 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 99.4 mttt -45.33 -49.08 13.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.363 0.602 . . . . 0.0 111.304 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 m -64.97 -34.72 79.1 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.809 -171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 93' ' ' THR . 34.1 mt -73.49 -45.56 51.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 94' ' ' TYR . 83.2 mt -55.68 -50.88 69.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.189 177.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.97 87.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.586 -176.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 t -68.3 -23.02 64.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.871 0.367 . . . . 0.0 110.252 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.47 -40.36 7.36 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.729 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.597 ' CD2' HD21 ' A' ' 31' ' ' LEU . 63.0 t80 -69.42 -28.51 66.2 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 117.024 0.412 . . . . 0.0 110.147 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -52.84 -24.85 9.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.135 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.06 -29.52 62.5 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.275 -0.488 . . . . 0.0 113.048 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.554 HG21 ' HB2' ' A' ' 57' ' ' SER . 6.9 tp -59.5 -29.77 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-O 120.879 0.371 . . . . 0.0 111.29 -177.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -76.21 -5.44 46.84 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 6.1 t30 -108.48 29.04 7.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.024 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 63.17 26.71 15.38 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.105 174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.55 160.6 29.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.743 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -77.37 149.83 35.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.336 0.589 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -73.41 -35.34 65.82 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.41 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.0 -38.65 57.11 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.4 m -56.85 -41.34 77.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 110.335 174.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.515 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 22.4 m -79.69 -27.99 40.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.882 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.49 ' HG ' ' CD1' ' A' ' 73' ' ' LEU . 6.3 tt -56.67 -48.88 76.62 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.55 -29.35 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.064 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -64.38 -52.0 60.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 110.319 175.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.413 ' HB2' HD21 ' A' ' 73' ' ' LEU . 88.8 mt -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.972 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -61.2 -41.81 97.47 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.733 176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.68 28.22 3.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.068 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 89.5 m -64.59 -38.23 90.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.292 0.568 . . . . 0.0 110.305 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.417 175.176 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.21 -21.55 46.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.8 tpp -78.91 104.8 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.873 177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 85.04 1.29 Allowed Glycine 0 N--CA 1.44 -1.098 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 171.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -39.37 108.15 0.47 Allowed Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 123.929 0.891 . . . . 0.0 112.198 -176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' HB2' ' HG3' ' A' ' 59' ' ' GLN . 20.8 Cg_endo -60.43 -34.95 92.58 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.634 2.889 . . . . 0.0 113.991 -169.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.6 pt? -63.48 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.979 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -64.86 -13.75 57.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.622 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -84.15 -26.97 28.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.775 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.0 pp -114.99 -25.58 8.1 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -174.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 7' ' ' LEU . 23.1 t -50.17 -32.09 8.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.126 0.488 . . . . 0.0 111.184 176.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 p -66.46 -34.48 78.03 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.083 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.775 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 52.2 ptt85 -77.55 -16.13 58.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.818 0.342 . . . . 0.0 110.963 -175.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.7 mm? -81.51 -1.51 46.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.644 177.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.4 p30 41.29 79.87 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.338 1.024 . . . . 0.0 112.189 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 89.2 mt -92.57 149.86 21.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.607 -175.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -107.81 -176.53 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.365 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -52.43 -34.4 48.34 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.48 0.487 . . . . 0.0 111.676 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.551 HG23 ' HG3' ' A' ' 78' ' ' LYS . 90.5 m -74.92 -29.6 61.01 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.792 -176.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.4 mm-40 -89.69 -46.01 8.92 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.643 -175.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -60.1 -53.24 60.07 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.813 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.11 -36.38 68.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 86.6 m -73.27 -48.52 34.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.827 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.11 -43.98 98.06 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.749 0.309 . . . . 0.0 110.275 -178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -60.74 -43.75 97.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.055 0.455 . . . . 0.0 110.188 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.74 -45.7 93.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.204 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -59.12 -56.14 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.219 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 m -56.93 -37.37 71.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.381 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -71.17 -39.72 71.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.771 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -71.04 -26.51 63.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.906 0.384 . . . . 0.0 110.295 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 83.6 mt -68.01 -40.8 82.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.003 177.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -74.58 -4.8 39.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.078 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' OE1' ' HE2' ' A' ' 34' ' ' LYS . 31.4 tt0 -97.66 -39.37 9.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.996 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.619 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.3 mmtt -100.04 -42.18 6.85 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -173.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.8 mt -66.94 -17.77 65.07 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.33 -9.32 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.131 0.491 . . . . 0.0 110.672 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -93.51 126.64 49.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.463 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 43.1 Cg_endo -66.91 -7.58 18.97 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 122.692 2.261 . . . . 0.0 113.134 -176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.65 -8.43 31.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 109.966 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.619 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.9 mt -115.37 -47.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.73 177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 61.58 0.62 Allowed Glycine 0 N--CA 1.441 -0.996 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.12 -43.26 92.56 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 106' ' ' PHE . 96.3 m-70 -79.4 -35.94 39.9 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.4 t80 -57.62 -54.87 41.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.805 178.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 38' ' ' PRO . 60.3 tttt -66.78 -33.14 74.96 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.048 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -79.92 -3.96 50.33 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.391 -0.524 . . . . 0.0 111.168 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.8 t -97.96 -16.71 19.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.88 173.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.55 -40.62 0.6 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.146 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.85 46.53 29.32 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.681 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -127.29 149.09 50.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.633 0.254 . . . . 0.0 110.54 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -58.63 -36.43 74.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.802 -176.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.1 m -64.33 -25.65 68.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.658 0.266 . . . . 0.0 110.606 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -71.56 -31.0 66.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.779 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -70.57 -59.12 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.131 0.491 . . . . 0.0 110.088 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.28 -24.42 65.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.648 -173.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -78.13 -36.08 48.28 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 120.735 0.302 . . . . 0.0 110.443 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.4 m -71.46 -37.17 71.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.507 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 54' ' ' ILE . 92.1 t -58.65 -39.94 77.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 172.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.649 ' HG3' ' HB2' ' A' ' 6' ' ' PRO . 1.5 tm0? -60.39 -56.56 19.99 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.975 177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -57.62 -39.71 77.53 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 111.013 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.717 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 11.1 t80 -58.26 -58.16 9.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.912 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.4 mt -76.28 -30.03 57.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.124 -173.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.4 p -72.74 -26.09 61.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 111.09 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -94.15 9.86 36.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.717 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 94.1 mt -105.52 173.13 6.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.808 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -94.0 157.1 16.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 11.7 tm-20 -60.54 -37.83 82.47 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.08 -32.49 73.88 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.482 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' HB3' HD11 ' A' ' 115' ' ' LEU . 57.4 mm-40 -80.63 -40.71 25.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.488 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -46.57 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.297 . . . . 0.0 111.417 -176.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 7.1 mmmm -71.04 -7.73 48.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.355 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -95.31 -40.37 9.57 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 174.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.568 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.99 -57.71 11.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.676 -178.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' O ' HG21 ' A' ' 23' ' ' THR . 91.9 mt -62.03 -45.39 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.291 -176.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.73 74.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.788 0.328 . . . . 0.0 110.685 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' HB2' ' HE2' ' A' ' 76' ' ' LYS . 2.4 tppt? -63.95 -51.17 65.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.084 177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.568 HD11 HD22 ' A' ' 73' ' ' LEU . 41.0 mt -59.59 -39.62 79.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.551 ' HG3' HG23 ' A' ' 19' ' ' THR . 11.0 tmtt? -57.77 -58.66 7.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.087 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.61 -35.02 71.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.451 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.16 -47.71 60.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.744 0.307 . . . . 0.0 110.68 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -58.57 -43.75 89.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.435 0.636 . . . . 0.0 110.549 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -56.24 -35.57 67.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.149 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.691 ' HD3' ' HG3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -93.35 1.06 57.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.691 ' HG3' ' HD3' ' A' ' 83' ' ' LYS . 67.9 mttm -110.89 -35.56 5.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.76 -15.74 59.39 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -66.43 -30.05 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.181 0.515 . . . . 0.0 110.308 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -112.89 125.27 30.12 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.748 -179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 50.6 Cg_exo -52.49 -57.22 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.337 2.691 . . . . 0.0 113.748 -173.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 7.8 pt-20 -86.44 -13.33 46.51 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -172.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.664 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.2 OUTLIER -65.52 -41.91 92.62 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 170.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.6 tp -75.29 -42.44 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.485 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 62.8 t30 -57.63 -50.52 72.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.425 -177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 25.5 m -62.2 -40.2 95.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.365 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -58.19 -50.58 73.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.665 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -54.94 -39.57 69.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.035 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 45.2 t -65.08 -46.7 80.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.286 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 62.0 mt -63.3 -41.71 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -58.05 -48.84 78.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.768 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.48 92.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.974 -178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m -65.71 -23.0 66.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.518 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.45 -39.39 11.0 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.662 176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.478 ' O ' HG22 ' A' ' 105' ' ' ILE . 87.1 t80 -71.09 -40.66 71.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.462 0.172 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -46.23 -30.59 2.06 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.497 0.719 . . . . 0.0 112.829 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.13 -23.72 53.09 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.083 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -64.43 -23.51 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.898 0.38 . . . . 0.0 111.175 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.424 ' HB2' ' CB ' ' A' ' 43' ' ' HIS . 91.7 m-85 -82.8 9.5 9.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.263 0.554 . . . . 0.0 110.572 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -115.22 36.35 3.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 60.9 24.39 14.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.843 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -80.38 161.77 24.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.265 -178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -87.62 156.95 19.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.504 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 -34.07 67.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.292 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -69.08 -44.89 71.61 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.2 t -65.8 -32.96 74.79 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.393 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.823 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 12.0 m -72.3 -36.43 68.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.029 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 69' ' ' GLU . 4.0 tt -55.28 -49.15 72.82 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.908 176.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.547 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 57.9 m-20 -59.17 -41.97 89.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.825 -175.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 53.5 mtmt -61.01 -38.28 85.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.731 0.3 . . . . 0.0 110.969 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -72.54 -42.75 64.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -71.02 -28.77 64.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.08 0.467 . . . . 0.0 110.598 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.27 10.52 40.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.339 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.5 m -64.93 -67.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.044 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--O 1.248 0.996 0 O-C-N 123.727 0.642 . . . . 0.0 111.781 176.186 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.857 0 N-CA-C 112.15 -0.38 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.17 49.72 16.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.076 0.465 . . . . 0.0 110.27 -176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.527 ' HG2' ' HA ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -64.92 105.89 1.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.087 -171.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.03 88.29 1.33 Allowed Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 169.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.9 p -43.18 103.73 0.33 Allowed Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' HB2' ' NE2' ' A' ' 59' ' ' GLN . 85.4 Cg_endo -86.26 -19.12 3.15 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.678 2.252 . . . . 0.0 112.095 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 8' ' ' GLU . 4.2 pp -76.82 -26.38 54.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.328 -177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' HD12 ' A' ' 7' ' ' LEU . 15.7 pt-20 -58.65 -29.48 66.59 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -170.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -81.33 -38.12 27.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.073 0.463 . . . . 0.0 110.853 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.717 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -82.6 -35.92 26.62 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.813 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' HD12 ' A' ' 10' ' ' LEU . 53.1 t -62.12 -31.49 51.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.092 0.472 . . . . 0.0 110.164 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -69.39 -35.53 75.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.681 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 11.2 ptm180 -83.56 -8.53 59.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.127 -176.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.4 mm? -79.36 -20.4 47.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 63.26 94.76 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.66 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 59.8 mt -109.25 160.33 16.21 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.837 178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' H ' ' HG2' ' A' ' 20' ' ' GLU . 9.9 p30 -118.04 -177.13 3.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -55.41 -32.79 62.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 111.558 -176.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 78' ' ' LYS . 19.3 m -69.59 -34.11 73.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.593 -176.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 4.5 mm-40 -86.97 -42.79 12.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.946 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -61.58 -50.58 72.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.216 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -38.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 110.767 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' HB ' ' A' ' 77' ' ' ILE . 59.2 m -68.97 -45.32 70.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.62 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -44.68 96.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 110.456 -178.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 m -60.34 -39.15 86.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -63.59 -48.31 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.863 177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -59.27 -53.81 54.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.541 -178.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -58.2 -33.38 69.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.408 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.11 -44.59 68.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.407 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.76 -22.91 62.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.917 0.389 . . . . 0.0 110.934 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.0 mt -69.09 -39.38 79.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.004 176.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.3 mttt -81.04 6.78 12.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.26 0.553 . . . . 0.0 110.381 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -104.57 -45.83 4.52 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.049 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.552 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.7 mmtt -102.17 -33.18 9.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.98 -14.97 63.38 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -173.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.22 -1.78 3.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.088 0.47 . . . . 0.0 110.85 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -95.8 130.48 31.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.38 -12.6 33.88 Favored 'Trans proline' 0 CA--C 1.53 0.297 0 C-N-CA 122.903 2.402 . . . . 0.0 113.701 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -95.03 -23.18 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.138 0.494 . . . . 0.0 109.9 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG21 ' HB3' ' A' ' 34' ' ' LYS . 23.7 mt -98.49 -50.06 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.05 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.52 54.48 1.47 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.514 -1.035 . . . . 0.0 110.514 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.92 -44.79 94.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.148 -0.526 . . . . 0.0 110.067 -176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -82.22 -34.98 28.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CE2' HG13 ' A' ' 54' ' ' ILE . 53.4 t80 -56.83 -55.37 35.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.554 177.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -67.43 -29.11 68.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -86.87 -3.14 59.04 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.347 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.0 t -109.89 4.7 21.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.125 0.488 . . . . 0.0 110.506 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 143.98 -39.86 1.23 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.763 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.75 41.38 99.85 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.318 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -121.08 145.76 47.45 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 121.279 -0.168 . . . . 0.0 110.693 -176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -52.58 -41.7 63.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.805 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.527 ' HA ' ' HG2' ' A' ' 3' ' ' MET . 39.1 t -58.85 -37.86 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.075 -178.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 62.4 mmtt -70.49 -21.82 62.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.095 -175.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.8 mt -69.46 -54.66 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.305 0.574 . . . . 0.0 109.561 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.58 -30.81 68.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.139 -176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -63.13 -40.71 98.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.392 173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.3 m -71.76 -34.13 69.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 54' ' ' ILE . 90.2 t -59.69 -40.54 82.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 173.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.516 ' HG3' HD21 ' A' ' 10' ' ' LEU . 45.9 tt0 -63.01 -54.59 35.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.461 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -53.23 -44.29 67.96 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.336 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' ' 65' ' ' LEU . 18.1 t80 -59.25 -57.73 11.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.959 -177.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HA ' HD12 ' A' ' 65' ' ' LEU . 49.9 mt -76.08 -23.32 55.0 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.649 -172.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.1 t -66.88 -31.73 72.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.718 -176.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -102.83 19.52 19.16 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 61' ' ' PHE . 96.3 mt -103.77 -174.42 2.54 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.342 0.592 . . . . 0.0 111.369 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -109.11 149.47 29.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.21 171.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 tm-20 -55.71 -42.77 75.75 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.497 0.498 . . . . 0.0 110.329 -178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.51 -35.17 78.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.664 -176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -70.08 -39.45 75.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.688 0.28 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.7 mt -59.95 -46.41 94.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.381 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 3.8 mmmm -61.36 -42.54 98.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.252 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.99 -37.71 78.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 110.658 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.749 HD22 ' HG ' ' A' ' 115' ' ' LEU . 58.4 tp -61.36 -55.07 35.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.748 178.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 20' ' ' GLU . 90.6 mt -66.99 -34.2 77.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.286 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.59 91.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.482 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -60.07 -58.83 6.83 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.099 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.613 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 46.0 mt -59.98 -23.64 27.52 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 124.094 0.872 . . . . 0.0 111.536 -174.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.442 ' HD2' HG23 ' A' ' 19' ' ' THR . 47.8 tttm -71.6 -53.69 12.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.036 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -58.39 -49.8 75.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.516 -176.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.613 ' OD1' ' HA ' ' A' ' 77' ' ' ILE . 6.2 p30 -70.75 -38.32 73.49 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.784 0.326 . . . . 0.0 111.301 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ILE . 17.0 tttm -56.79 -54.6 44.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.212 0.53 . . . . 0.0 110.536 171.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -25.99 60.93 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.922 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.1 mttp -67.82 -45.37 74.91 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.232 0.539 . . . . 0.0 111.131 173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 63.0 mttm -95.49 -15.57 22.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.718 -167.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 23.5 pt-20 -63.24 -22.12 66.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -63.23 -48.02 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.086 0.469 . . . . 0.0 110.575 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.603 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 11.8 m-20 -95.15 117.94 66.62 Favored Pre-proline 0 N--CA 1.443 -0.787 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.827 -177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.93 -50.14 14.72 Favored 'Trans proline' 0 C--O 1.23 0.086 0 C-N-CA 123.151 2.567 . . . . 0.0 113.233 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -22.79 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.633 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 11.8 mm-40 -68.14 -52.02 39.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 110.426 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.501 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 43.8 tp -63.85 -35.93 82.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.987 0.422 . . . . 0.0 110.065 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -61.31 -46.99 87.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.41 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 97' ' ' ILE . 92.8 m -62.85 -42.19 99.65 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.231 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.7 t80 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -55.86 -41.37 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.085 0.469 . . . . 0.0 110.738 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 25.2 t -64.16 -43.36 95.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.294 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 93' ' ' THR . 67.5 mt -65.54 -45.25 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.561 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.528 HD11 ' CE2' ' A' ' 94' ' ' TYR . 25.8 mt -57.59 -49.55 76.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.994 0.426 . . . . 0.0 110.879 178.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.95 -43.08 84.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.399 -177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 t -69.36 -21.61 63.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.152 0.501 . . . . 0.0 110.09 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.93 -41.22 8.83 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.615 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.3 t80 -69.36 -35.4 75.82 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.603 0.24 . . . . 0.0 110.529 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.578 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 32.4 t70 -48.57 -24.65 1.39 Allowed 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.441 178.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.36 -32.28 63.87 Favored Glycine 0 CA--C 1.523 0.547 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.415 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -62.44 -26.41 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.987 0.422 . . . . 0.0 110.801 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 98.6 m-85 -76.56 -12.46 60.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.681 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -101.46 19.55 17.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 67.49 36.19 3.9 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.268 176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.76 157.51 33.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.287 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.51 151.79 45.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.781 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.8 p -80.03 -32.43 39.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.133 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -70.38 -44.74 67.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 110.558 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 13.6 t -66.35 -33.25 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.423 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 23.9 m -76.16 -35.75 59.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.749 ' HG ' HD22 ' A' ' 73' ' ' LEU . 6.9 tt -54.35 -49.53 69.55 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 25.8 m-80 -61.24 -39.43 90.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.464 -178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 113' ' ' THR . 27.5 mtpp -59.51 -44.19 93.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 178.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 67.3 mt -70.3 -42.09 72.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.019 -178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 15.4 ptmt -72.99 -24.37 60.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.199 0.523 . . . . 0.0 110.679 -176.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -90.52 -6.1 55.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.261 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 87.5 m -59.3 -56.99 15.07 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.969 -0.293 . . . . 0.0 110.549 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 80' ' ' ASN . 32.8 mt . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.123 0.889 . . . . 0.0 111.631 176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.68 91.37 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 110.043 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt -163.39 125.35 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.514 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.6 101.95 1.24 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.621 -0.992 . . . . 0.0 110.621 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.23 107.31 0.75 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.854 ' HA ' ' HE2' ' A' ' 9' ' ' LYS . 88.9 Cg_endo -86.13 -25.1 1.49 Allowed 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 122.656 2.238 . . . . 0.0 112.596 -178.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 8' ' ' GLU . 2.6 pp -68.61 -28.0 66.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.947 -175.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' N ' HD12 ' A' ' 7' ' ' LEU . 16.0 pt-20 -67.72 -20.07 65.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.835 0.35 . . . . 0.0 111.011 -175.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.854 ' HE2' ' HA ' ' A' ' 6' ' ' PRO . 48.9 mttm -74.4 -33.41 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.34 0.591 . . . . 0.0 109.712 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.1 pp -93.22 -29.7 15.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.874 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 ' N ' HD12 ' A' ' 10' ' ' LEU . 42.3 t -58.88 -37.54 67.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.733 173.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -63.61 -42.43 98.21 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 6.6 ptp180 -72.73 -21.01 61.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.987 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 96.4 mt -79.42 -32.31 42.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.469 177.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.32 79.44 0.26 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.957 -177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 66.6 mt -96.99 156.01 16.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.152 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -99.87 170.34 8.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -50.2 -38.56 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.513 0.508 . . . . 0.0 111.56 -176.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 78' ' ' LYS . 11.4 m -67.65 -28.58 67.83 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.055 -175.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 2.5 mm-40 -86.92 -55.4 3.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.683 0.754 . . . . 0.0 109.816 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.67 93.07 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 114.783 -1.098 . . . . 0.0 113.255 -172.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -67.91 -37.57 81.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.0 m -64.02 -37.35 87.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 HD11 ' A' ' 62' ' ' LEU . 3.2 mt -63.32 -36.28 83.17 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.206 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.3 m -64.57 -49.98 69.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.701 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -54.9 -47.82 73.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.222 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 41.9 tp -60.71 -52.75 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.6 m -57.71 -33.42 68.39 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.63 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -43.53 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.418 -178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -65.96 -27.92 68.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.047 0.451 . . . . 0.0 110.429 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 96.6 mt -66.7 -36.49 82.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.028 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -74.65 -12.96 60.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.517 . . . . 0.0 110.427 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -93.25 -35.52 13.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.18 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.568 ' HB3' HG21 ' A' ' 40' ' ' ILE . 70.9 mmtt -104.6 -41.98 5.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -172.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.47 -16.67 64.34 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.695 0.283 . . . . 0.0 111.688 -173.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 m -71.92 -12.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.134 0.492 . . . . 0.0 110.666 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -88.49 130.48 45.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.194 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.75 -8.23 18.9 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 122.886 2.391 . . . . 0.0 113.142 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -94.77 -17.18 22.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.018 0.437 . . . . 0.0 110.423 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.6 mt -111.62 -46.14 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.613 -176.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -103.89 63.99 0.37 Allowed Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 42' ' ' LEU . 1.5 tm? -62.15 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -177.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 92.8 m-70 -81.08 -38.1 27.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.597 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 54' ' ' ILE . 80.6 t80 -59.12 -55.1 39.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.231 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -60.98 -42.36 98.24 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.25 -7.13 54.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.5 m -109.04 10.28 26.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.621 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.46 -51.46 0.75 Allowed Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.368 174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.522 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 79.83 33.43 33.73 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.486 -0.864 . . . . 0.0 111.641 -175.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.586 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 1.6 m-20 -101.98 143.98 31.15 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 -176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -56.15 -39.3 72.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.869 0.366 . . . . 0.0 111.09 175.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.1 m -62.37 -29.05 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.687 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 29.7 mmtp -63.55 -35.6 81.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.754 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 44' ' ' PHE . 96.4 mt -76.08 -50.03 23.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.848 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.96 -27.12 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.491 -176.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 48.4 mt-10 -86.49 -39.29 16.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.278 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.7 m -67.45 -37.06 82.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 54' ' ' ILE . 91.6 t -56.99 -39.0 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.627 ' HG3' HD21 ' A' ' 10' ' ' LEU . 51.5 tt0 -66.5 -51.19 59.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.598 177.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 45.0 mttm -55.95 -36.21 67.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.461 0.648 . . . . 0.0 110.392 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE1' HD11 ' A' ' 65' ' ' LEU . 11.0 t80 -66.1 -57.79 6.9 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.726 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.519 HD11 HD21 ' A' ' 24' ' ' LEU . 51.5 mt -75.2 -24.49 57.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.517 -171.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 p -68.2 -27.01 66.01 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -99.11 0.43 43.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 61' ' ' PHE . 83.0 mt -94.64 169.64 10.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.999 0.428 . . . . 0.0 111.105 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 65.5 mttm -87.39 154.1 20.93 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.865 174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 14.4 tm-20 -60.0 -41.61 92.49 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -56.95 -43.52 81.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.434 177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 52.0 mt-10 -66.28 -41.16 90.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.869 -177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.4 mt -61.1 -42.1 91.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.727 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.694 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -63.15 -47.78 81.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.285 179.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -58.22 -42.77 87.01 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.185 0.516 . . . . 0.0 110.122 177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' O ' HG13 ' A' ' 77' ' ' ILE . 41.5 tp -58.02 -62.39 1.85 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.018 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 ' HG ' ' A' ' 24' ' ' LEU . 96.9 mt -62.69 -38.76 91.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.776 -175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 110.312 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -53.68 52.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.937 178.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 73' ' ' LEU . 35.3 mt -58.89 -44.5 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HE2' HG23 ' A' ' 19' ' ' THR . 6.9 tmtm? -59.82 -57.0 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 -177.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 83' ' ' LYS . 31.2 tt0 -58.71 -45.25 89.97 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.709 -177.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -61.54 -48.75 79.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.003 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -55.39 -56.49 19.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.063 178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.68 -28.82 67.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.255 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.46 ' HE2' ' HG2' ' A' ' 79' ' ' GLU . 68.8 mttm -82.62 -32.04 28.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.703 0.287 . . . . 0.0 111.38 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -93.42 -18.76 21.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.19 -9.24 30.05 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -59.24 -55.78 30.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.27 0.557 . . . . 0.0 109.724 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.76 113.9 62.26 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.566 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.87 -50.7 13.11 Favored 'Trans proline' 0 CA--C 1.527 0.144 0 C-N-CA 123.376 2.717 . . . . 0.0 113.289 -172.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 9.4 pt-20 -73.55 -26.05 60.67 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -174.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.22 -43.5 77.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.58 0.705 . . . . 0.0 109.485 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.402 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.2 tm? -68.71 -44.97 72.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.597 175.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 57.2 t30 -54.19 -46.55 72.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.68 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.462 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.8 m -66.25 -35.1 79.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 110.292 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -59.51 -48.76 80.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.418 177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 91' ' ' LEU . 97.0 mttt -48.88 -43.74 39.35 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.881 172.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.6 m -68.26 -41.57 80.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.945 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 93' ' ' THR . 55.3 mt -64.14 -42.08 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.49 . . . . 0.0 110.107 177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.79 -51.07 71.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.957 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.78 81.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.613 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.1 t -62.0 -29.01 69.97 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.7 -38.19 8.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.199 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' O ' HG22 ' A' ' 105' ' ' ILE . 78.3 t80 -70.98 -35.7 72.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.718 0.259 . . . . 0.0 111.417 -176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -49.68 -25.42 2.9 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.24 -29.38 62.85 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.974 178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.2 tp -59.95 -31.21 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 110.977 -177.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -77.35 -1.3 29.24 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.217 0.532 . . . . 0.0 110.623 -177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.482 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -117.89 51.34 1.06 Allowed 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.433 ' HG3' ' C ' ' A' ' 107' ' ' ASN . 1.1 pp0? 46.83 31.83 1.59 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.716 1.206 . . . . 0.0 113.499 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.32 153.17 24.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.082 0.467 . . . . 0.0 111.044 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' OD2' ' HB3' ' A' ' 112' ' ' LYS . 0.7 OUTLIER -75.84 151.12 37.52 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.868 178.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' A' ' 61' ' ' PHE . 17.0 p -78.58 -31.12 47.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.028 -173.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HB3' ' OD2' ' A' ' 110' ' ' ASP . 12.6 tppt? -65.55 -45.27 84.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 28.3 m -58.63 -53.64 56.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.79 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 15.5 m -63.41 -32.54 74.0 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.495 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 29.4 tp -59.96 -44.6 94.32 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.057 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.39 -17.91 60.3 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.356 -175.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 114' ' ' THR . 1.6 mptp? -81.15 -49.09 11.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.211 0.529 . . . . 0.0 110.27 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.68 -32.53 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.159 -175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -78.57 -15.89 58.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.349 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.61 32.54 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.631 -175.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 57.4 m -67.54 -54.74 17.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.625 -176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 45.0 mm . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.53 -0.748 . . . . 0.0 111.056 179.712 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.927 0 N-CA-C 112.282 -0.327 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.96 33.77 12.09 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.828 0.451 . . . . 0.0 111.819 175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 47.8 tpp -169.76 -58.39 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.499 0.666 . . . . 0.0 110.657 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.78 -70.19 0.52 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -173.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.4 p -135.29 78.09 52.74 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.202 0.525 . . . . 0.0 110.109 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -79.47 -20.76 9.31 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.517 2.145 . . . . 0.0 113.018 -175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.26 -22.85 64.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.184 -173.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.93 -17.33 63.14 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 48.5 mtpt -83.06 -37.16 24.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.032 0.444 . . . . 0.0 110.814 -174.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.783 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 2.9 pp -90.65 -25.37 20.14 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.713 HG13 HD12 ' A' ' 16' ' ' LEU . 3.4 t -49.32 -35.7 8.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.316 0.579 . . . . 0.0 110.417 173.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -77.61 -24.52 49.59 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.317 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.783 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.59 -10.67 59.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.153 0.501 . . . . 0.0 110.169 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 67' ' ' GLU . 2.1 mm? -87.06 -11.93 48.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.021 173.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 62.17 78.06 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.059 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD12 HG13 ' A' ' 11' ' ' VAL . 47.3 mt -105.78 153.08 22.38 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.623 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -119.22 170.79 8.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.723 -177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -41.9 -39.95 1.99 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 124.106 0.878 . . . . 0.0 112.854 -176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -74.41 -44.11 53.41 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -30.01 56.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.211 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -75.25 -27.29 59.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.739 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -57.24 -45.24 84.11 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.531 HG21 ' HB ' ' A' ' 77' ' ' ILE . 25.3 m -65.36 -42.56 92.67 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.24 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.08 -47.48 86.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.967 0.413 . . . . 0.0 110.044 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.7 m -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.182 177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -59.22 -54.18 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.044 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.5 tp -62.32 -57.04 12.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.805 -175.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -57.99 -34.64 70.2 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -175.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -74.14 -40.4 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.605 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.5 pp -72.56 -24.93 61.18 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.398 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 66.6 mt -63.98 -39.46 94.17 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 174.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.56 -7.97 55.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.679 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -96.26 -36.93 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.112 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -100.62 -42.49 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.194 -174.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.89 -17.48 64.68 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.7 m -70.77 -13.61 17.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 110.828 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.65 129.8 58.26 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.74 -12.95 31.24 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.868 2.378 . . . . 0.0 113.467 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -93.49 -24.63 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.441 . . . . 0.0 110.078 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 34' ' ' LYS . 19.2 mt -98.74 -48.44 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.045 -177.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.29 50.97 1.14 Allowed Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -56.54 -47.36 79.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 -37.3 68.01 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' CE2' HG13 ' A' ' 54' ' ' ILE . 57.1 t80 -57.83 -52.7 64.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.237 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.7 tptt -57.7 -47.3 82.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.582 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -72.92 -8.44 55.62 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.463 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 t -100.69 -0.48 37.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.199 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.4 -35.1 1.84 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.204 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 65.08 43.91 94.99 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.418 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.8 147.81 49.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.627 0.251 . . . . 0.0 110.412 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.75 -39.35 80.69 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.075 -176.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 71.1 m -64.42 -29.4 70.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.115 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 3.9 mmmp? -67.52 -24.93 65.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.584 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 58' ' ' VAL . 83.0 mt -70.75 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.406 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 7' ' ' LEU . 45.4 mt-10 -69.93 -26.06 63.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.953 -174.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 11.5 pt-20 -73.68 -26.59 60.8 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.222 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.0 m -77.79 -38.42 46.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 57.5 t -57.96 -41.19 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.112 0 CA-C-O 121.166 0.508 . . . . 0.0 109.647 173.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG3' HD21 ' A' ' 10' ' ' LEU . 59.3 tt0 -59.26 -49.53 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.952 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -65.91 -42.07 90.66 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.005 0.431 . . . . 0.0 110.142 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 21.8 t80 -52.01 -53.68 38.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.067 179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 61.8 mt -74.36 -14.25 60.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.449 -175.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.6 m -81.23 -23.26 38.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.068 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -97.1 8.05 45.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.853 0.359 . . . . 0.0 111.753 -176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CE1' ' A' ' 61' ' ' PHE . 89.9 mt -119.58 169.4 10.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 111.547 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.444 ' HG2' ' H ' ' A' ' 68' ' ' ASP . 23.4 ttmm -86.33 158.15 19.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.159 174.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 21.3 mp0 -59.81 -39.61 85.61 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.444 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 15.6 t70 -65.97 -42.26 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.515 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' O ' ' HB2' ' A' ' 73' ' ' LEU . 4.1 mm-40 -70.04 -30.78 68.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.483 -177.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.3 mt -75.16 -43.77 44.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.351 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.0 mmmm -54.63 -53.61 52.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.46 173.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.64 -39.85 89.81 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.983 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -57.0 -61.83 2.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 178.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.0 mt -62.35 -36.16 81.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.737 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.94 0.4 . . . . 0.0 110.524 177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -47.69 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.455 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.531 ' HB ' HG21 ' A' ' 23' ' ' THR . 58.7 mt -58.02 -37.16 59.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.77 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 75' ' ' ALA . 28.5 tptp -57.05 -57.02 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.59 177.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 41.7 mt-10 -54.2 -48.92 70.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.371 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -65.41 -40.45 93.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -58.13 -57.24 13.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.265 175.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -32.14 69.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.431 -178.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 36.2 tttp -68.11 -43.32 78.69 Favored 'General case' 0 N--CA 1.425 -1.695 0 C-N-CA 122.944 0.498 . . . . 0.0 111.518 176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -94.72 -11.77 28.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.82 -4.92 22.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.16 0.505 . . . . 0.0 110.371 177.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.0 -50.55 73.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.024 171.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 6.1 m-20 -110.25 134.1 20.87 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.62 -51.8 9.6 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.824 2.349 . . . . 0.0 112.619 -178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -71.62 -25.98 62.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.395 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 13.0 mm-40 -62.37 -50.14 72.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.231 0.539 . . . . 0.0 109.996 174.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 52.3 tp -67.33 -44.92 77.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.827 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -58.77 -45.86 88.82 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.147 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.546 ' O ' HG13 ' A' ' 97' ' ' ILE . 71.9 m -63.53 -43.49 96.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.231 177.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.466 ' CE2' HD11 ' A' ' 98' ' ' LEU . 51.0 t80 -58.46 -49.53 77.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 55.2 mtpt -52.69 -40.37 62.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.828 176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HG3' ' A' ' 34' ' ' LYS . 19.3 m -70.03 -41.52 74.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.822 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 93' ' ' THR . 54.2 mt -69.11 -37.36 76.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.691 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD11 ' CE2' ' A' ' 94' ' ' TYR . 71.3 mt -53.9 -49.91 67.54 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.935 0.397 . . . . 0.0 111.0 174.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.15 -34.03 77.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.529 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m -78.03 5.25 10.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.526 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -116.02 -17.73 6.21 Favored Glycine 0 N--CA 1.443 -0.833 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 105' ' ' ILE . 73.8 t80 -92.41 -27.6 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.445 0.64 . . . . 0.0 109.744 175.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -39.04 -42.2 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.284 -1.325 . . . . 0.0 114.157 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.34 -27.97 61.27 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 121.38 -0.438 . . . . 0.0 113.438 -172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.5 tp -59.17 -30.96 44.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.981 0.42 . . . . 0.0 111.189 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -75.09 -11.94 60.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.073 0.464 . . . . 0.0 111.143 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.97 20.8 10.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.457 0.646 . . . . 0.0 109.263 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 68.33 26.29 6.84 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.797 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.93 164.51 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.899 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -76.91 150.03 36.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.612 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.513 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 15.2 m -80.54 -27.27 37.62 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.229 -172.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.486 ' O ' ' HB3' ' A' ' 115' ' ' LEU . 1.4 tmtp? -75.38 -39.22 59.42 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 47.8 m -60.05 -43.76 95.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.281 173.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.43 ' CG2' ' HE2' ' A' ' 61' ' ' PHE . 37.0 m -70.16 -35.38 73.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.703 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 112' ' ' LYS . 3.7 tt -51.35 -43.39 61.79 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.98 0.512 . . . . 0.0 111.181 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.46 -46.96 73.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.734 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.526 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 29.9 mtmt -68.8 -27.95 66.33 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.119 -178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -78.6 -33.58 47.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.52 -41.48 46.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 110.202 174.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -99.7 52.6 0.93 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.362 0.601 . . . . 0.0 110.474 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.454 HG23 HG22 ' A' ' 97' ' ' ILE . 21.0 m -83.36 -65.13 1.05 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.263 176.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 6.5 pt . . . . . 0 C--O 1.247 0.941 0 O-C-N 124.635 1.21 . . . . 0.0 113.851 179.225 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' HA3' ' OD1' ' A' ' 50' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.52 110.08 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.84 0.352 . . . . 0.0 111.421 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.53 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 11.0 tpt -89.75 -39.51 13.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.56 -136.57 12.91 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.25 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.3 p -132.09 73.87 77.38 Favored Pre-proline 0 C--N 1.319 -0.724 0 O-C-N 122.442 -0.446 . . . . 0.0 111.681 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.16 -28.57 10.66 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.237 1.958 . . . . 0.0 110.443 174.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -71.0 -31.97 68.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.693 -177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -59.78 -18.94 47.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.919 -177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -78.47 -26.91 46.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.97 0.414 . . . . 0.0 110.501 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.589 HD21 ' HG3' ' A' ' 59' ' ' GLN . 3.6 pp -104.75 -26.29 12.33 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 178.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 16' ' ' LEU . 31.1 t -57.72 -38.23 63.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.573 175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 t -70.94 -12.76 61.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -90.02 -24.92 21.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.589 0.709 . . . . 0.0 109.619 176.594 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 70' ' ' ILE . 38.4 mt -81.13 -21.42 39.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.457 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.7 m120 64.91 65.6 0.6 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.073 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 11' ' ' VAL . 58.2 mt -95.12 151.89 18.81 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.837 177.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HB ' ' A' ' 19' ' ' THR . 10.2 p30 -108.5 179.14 4.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.615 -177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -54.55 -32.47 58.44 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.627 0.579 . . . . 0.0 111.775 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 17' ' ' ASN . 85.3 m -69.2 -35.45 76.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm-40 -82.53 -49.58 9.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.626 -177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 36.8 mtpt -63.58 -34.16 77.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.245 -174.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -70.7 -32.57 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.252 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -63.1 -40.6 98.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.5 0.667 . . . . 0.0 109.422 171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -68.75 -39.29 80.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.845 178.809 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.5 m -57.07 -48.65 78.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.148 0.499 . . . . 0.0 109.734 174.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.12 -48.95 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.884 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 6.5 tt -59.41 -56.39 22.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.751 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.8 m -57.71 -35.16 70.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -81.46 -30.43 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.1 pp -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 HD21 ' CD2' ' A' ' 102' ' ' PHE . 10.0 mp -55.33 -44.16 75.6 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.178 170.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HD3' ' OE2' ' A' ' 51' ' ' GLU . 98.1 mttt -67.9 -10.91 57.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.188 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.67 -40.4 7.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.597 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.4 mmtt -98.97 -37.64 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -172.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . 36.3 mt -63.92 -14.55 54.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -173.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.37 -9.17 12.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.019 0.437 . . . . 0.0 110.976 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -92.23 129.77 40.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.75 -11.56 24.52 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 123.071 2.514 . . . . 0.0 113.529 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -93.4 -21.13 19.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.196 0.522 . . . . 0.0 110.122 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.3 mt -101.71 -47.61 11.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.024 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.78 61.61 0.3 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.59 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.66 -43.91 92.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.167 0.508 . . . . 0.0 109.855 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.41 -37.22 44.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 35' ' ' LEU . 41.7 t80 -58.93 -52.07 67.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.953 178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.44 -38.37 89.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.234 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -82.87 -7.33 59.67 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.627 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.2 t -97.26 -4.38 38.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.26 0.552 . . . . 0.0 109.993 177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 150.95 -37.79 0.86 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.832 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.26 47.84 68.73 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.52 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 32.6 t70 -139.6 150.37 44.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.993 -0.283 . . . . 0.0 110.934 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' ' 32' ' ' LYS . 44.0 mt-10 -59.93 -28.6 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.932 -175.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.53 ' HB3' ' HB2' ' A' ' 3' ' ' MET . 14.6 m -59.31 -41.58 89.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 110.469 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -65.72 -24.89 67.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.217 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.9 mt -69.51 -48.6 65.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.174 0.511 . . . . 0.0 109.931 176.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -68.03 -25.85 65.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.096 -176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 52' ' ' SER . 43.8 mt-10 -75.52 -41.29 55.56 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.1 m -70.96 -38.47 72.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.575 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 54' ' ' ILE . 81.2 t -59.67 -38.03 73.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 109.944 175.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.589 ' HG3' HD21 ' A' ' 10' ' ' LEU . 63.2 tt0 -62.54 -52.86 61.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.573 177.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 tttm -54.15 -47.45 71.93 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.796 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE1' HD11 ' A' ' 65' ' ' LEU . 16.6 t80 -56.78 -56.72 17.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.264 -175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 mt -74.81 -21.04 59.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.793 -173.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.2 t -77.72 -23.83 49.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.092 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -95.7 8.06 44.54 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.992 0.425 . . . . 0.0 111.16 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 61' ' ' PHE . 92.6 mt -107.04 167.28 10.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.057 0.456 . . . . 0.0 110.369 178.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.631 ' HD2' ' HB3' ' A' ' 68' ' ' ASP . 4.0 ttmp? -84.94 159.45 20.29 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 172.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 15.0 mp0 -60.95 -37.69 83.25 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.631 ' HB3' ' HD2' ' A' ' 66' ' ' LYS . 32.3 t70 -65.28 -36.93 85.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.745 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.531 ' HG2' ' HB3' ' A' ' 66' ' ' LYS . 6.3 mm-40 -65.2 -41.69 94.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.23 0.538 . . . . 0.0 110.289 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 14' ' ' LEU . 81.4 mt -64.32 -47.54 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.703 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 2.0 mmmp? -55.74 -42.13 74.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.22 176.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.18 -46.22 68.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 77' ' ' ILE . 65.4 tp -62.77 -54.58 36.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 24' ' ' LEU . 73.9 mt -63.01 -30.92 71.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.473 -176.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.18 86.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.852 0.358 . . . . 0.0 110.46 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -59.38 -53.67 55.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.523 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.535 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 41.6 mt -57.92 -43.75 85.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.86 -178.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -58.8 -58.78 7.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.24 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.3 -48.22 74.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.452 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 33.3 m-80 -58.7 -43.29 89.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.821 0.343 . . . . 0.0 110.472 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -59.55 -57.57 12.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 83.3 m-20 -66.1 -16.79 64.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.443 -173.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -92.33 -34.21 14.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.578 0.228 . . . . 0.0 111.371 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 68.3 mttm -88.08 -15.65 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.594 0.235 . . . . 0.0 111.413 -175.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG2' ' HA ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -62.07 -15.68 46.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.157 0.503 . . . . 0.0 111.581 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 2.1 tmtm? -65.21 -26.09 67.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.941 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.67 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 4.4 t70 -129.04 125.55 22.84 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.397 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -55.17 -40.87 83.52 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.794 2.329 . . . . 0.0 112.465 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -72.19 -39.55 68.54 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 1.6 mm-40 -61.39 -51.75 67.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.932 0.396 . . . . 0.0 110.267 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -60.29 -47.25 86.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.837 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -59.49 -51.15 71.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.212 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.575 ' O ' HG13 ' A' ' 97' ' ' ILE . 37.0 m -60.24 -41.89 94.12 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.212 -179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE2' HD11 ' A' ' 98' ' ' LEU . 29.4 t80 -59.22 -53.11 62.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -53.88 -40.63 66.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.679 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.7 m -64.92 -42.53 94.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.537 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 93' ' ' THR . 64.2 mt -68.39 -42.7 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.617 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.562 HD11 ' CE2' ' A' ' 94' ' ' TYR . 56.0 mt -56.41 -49.47 74.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.056 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.06 85.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.802 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.9 t -65.29 -22.4 66.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.064 0.459 . . . . 0.0 110.364 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.31 -43.54 7.41 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 121.093 -0.575 . . . . 0.0 111.748 176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.63 ' CD2' HD21 ' A' ' 31' ' ' LEU . 53.7 t80 -70.05 -28.67 65.64 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.497 0.189 . . . . 0.0 110.679 -177.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -50.76 -26.81 6.09 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.7 -29.78 64.79 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.857 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.9 tp -59.28 -31.18 45.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-O 120.762 0.315 . . . . 0.0 111.314 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -72.47 -9.68 58.84 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-O 121.141 0.496 . . . . 0.0 110.687 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -107.94 28.4 8.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 62.61 30.38 16.99 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.813 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.38 36.23 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.302 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.07 150.84 45.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 m -76.32 -33.73 59.02 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.29 -174.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -72.02 -37.73 69.71 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 92.7 m -58.81 -50.68 73.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.6 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.431 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 24.5 m -70.68 -29.69 66.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.075 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 73' ' ' LEU . 7.0 tt -54.17 -47.37 72.09 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.265 0.555 . . . . 0.0 109.782 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.2 -40.56 94.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.02 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -58.57 -37.53 75.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 111.023 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 80.0 mt -78.25 -31.72 49.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.274 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -87.5 -23.99 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -175.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.05 14.06 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.826 -176.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.501 HG23 HG21 ' A' ' 97' ' ' ILE . 26.1 m -76.51 -82.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.468 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.587 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 21.4 mt . . . . . 0 C--O 1.25 1.119 0 O-C-N 123.829 0.705 . . . . 0.0 111.745 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.56 -30.16 69.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.302 0.572 . . . . 0.0 110.134 173.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 4' ' ' GLY . 10.7 ptm -119.24 -176.32 3.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.11 174.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 3' ' ' MET . . . -56.84 144.64 38.13 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 172.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 1.2 p -41.0 100.46 0.22 Allowed Pre-proline 0 N--CA 1.466 0.369 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -172.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.47 -13.47 10.91 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.732 2.288 . . . . 0.0 112.898 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' ' 58' ' ' VAL . 6.2 mp -65.47 -40.89 93.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.699 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 11.1 pt-20 -63.5 -19.15 64.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -171.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' NZ ' ' HB3' ' A' ' 9' ' ' LYS . 9.2 mtpm? -73.39 -41.46 63.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.546 0.688 . . . . 0.0 109.835 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -84.92 -29.07 25.47 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.124 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.509 ' N ' HD12 ' A' ' 10' ' ' LEU . 24.0 t -56.79 -30.48 32.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.236 173.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 m -65.12 -33.23 75.53 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.9 ptm180 -84.03 -17.64 39.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.843 0.354 . . . . 0.0 110.403 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD13 ' O ' ' A' ' 10' ' ' LEU . 5.5 mp -69.15 -28.35 66.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.736 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 55.68 75.33 0.33 Allowed 'General case' 0 C--O 1.236 0.342 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.13 -177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.549 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 86.9 mt -89.22 169.53 11.38 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.673 0.749 . . . . 0.0 111.489 -175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.483 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 1.1 p-10 -125.72 176.27 7.03 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.604 -1.18 . . . . 0.0 108.925 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -28.46 67.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.024 0.44 . . . . 0.0 110.553 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 12.0 m -66.22 -32.7 74.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.851 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.627 ' HG3' ' HE3' ' A' ' 71' ' ' LYS . 9.8 mm-40 -85.57 -49.5 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.849 -175.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt -68.92 -30.27 68.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.939 -172.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.25 -44.09 92.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.243 0.544 . . . . 0.0 109.927 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 77' ' ' ILE . 56.6 m -67.54 -40.89 85.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.335 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.97 -38.53 82.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.951 0.405 . . . . 0.0 110.73 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.3 m -65.18 -44.32 88.85 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.998 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -63.29 -49.94 72.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.028 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.541 -176.268 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -59.36 -33.53 71.29 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.777 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -74.94 -36.8 62.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 2.1 pp -70.75 -36.24 73.04 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.938 0.399 . . . . 0.0 110.013 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 8.6 mp -56.93 -43.87 81.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.241 170.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -79.01 1.98 22.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.069 0.461 . . . . 0.0 111.111 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' OE2' ' HD3' ' A' ' 95' ' ' LYS . 21.8 tt0 -106.51 -48.54 3.52 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.1 mmtm -93.5 -38.51 11.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -175.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 64.5 mt -69.18 -10.12 56.18 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -173.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.54 -9.55 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.148 0.499 . . . . 0.0 110.447 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.39 131.59 32.3 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.861 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.76 -15.22 45.39 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.902 2.401 . . . . 0.0 113.762 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -91.9 -22.25 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.478 . . . . 0.0 110.151 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.562 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.6 mt -101.39 -45.09 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.335 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.75 60.45 0.75 Allowed Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.316 -1.114 . . . . 0.0 110.316 175.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.06 -42.5 94.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.156 -0.522 . . . . 0.0 110.029 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -80.8 -38.45 28.4 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' HD2' ' CZ ' ' A' ' 106' ' ' PHE . 56.9 t80 -54.44 -56.37 19.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.498 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -67.46 -32.72 73.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.693 -172.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -84.89 -35.61 22.05 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.252 -0.579 . . . . 0.0 112.047 -175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -95.33 -40.21 9.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.737 0.303 . . . . 0.0 111.44 -175.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.59 -73.36 0.88 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.914 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.07 11.59 72.74 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.043 -0.598 . . . . 0.0 113.884 177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.65 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 11.7 m-20 -138.04 144.69 41.13 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 117.681 0.741 . . . . 0.0 110.126 -178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -58.71 -32.01 68.78 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 121.172 0.51 . . . . 0.0 110.787 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -62.25 -34.39 76.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.94 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.65 ' HG2' ' HB2' ' A' ' 50' ' ' ASP . 23.7 mmtp -68.98 -15.64 63.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.527 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 58' ' ' VAL . 78.3 mt -76.02 -52.04 18.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.81 -41.67 96.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.341 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.13 -40.04 92.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 m -69.61 -41.7 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.334 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 54' ' ' ILE . 55.3 t -59.87 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.98 0.419 . . . . 0.0 109.873 175.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 41.1 tt0 -66.62 -47.03 73.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.659 178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -57.98 -44.13 86.95 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.264 0.554 . . . . 0.0 110.041 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.607 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 14.1 t80 -53.19 -56.37 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.516 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 32.1 mt -73.15 -24.99 60.65 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.417 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.1 t -75.84 -25.8 56.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.284 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -88.8 -2.45 58.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.742 0.306 . . . . 0.0 111.451 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 57.4 mt -100.66 172.22 7.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.606 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 13.6 mptt -89.27 152.48 21.53 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 28.7 tt0 -54.34 -40.62 68.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.197 0.522 . . . . 0.0 110.654 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.65 -38.55 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.979 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.523 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 57.0 mt-10 -69.34 -33.63 73.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.414 -176.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.6 mt -64.32 -43.47 97.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.295 176.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.627 ' HE3' ' HG3' ' A' ' 20' ' ' GLU . 14.8 mmmm -61.47 -37.8 84.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.207 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.97 -38.48 72.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.517 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.587 ' O ' HG13 ' A' ' 77' ' ' ILE . 52.5 tp -59.27 -59.51 5.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.608 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.97 -46.31 91.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.774 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.64 72.53 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.028 0.442 . . . . 0.0 111.065 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.71 -46.85 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.044 178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 73' ' ' LEU . 57.1 mt -60.87 -38.25 78.69 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.82 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.46 ' HG2' HG23 ' A' ' 19' ' ' THR . 27.6 tptp -53.48 -56.92 12.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.909 178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.12 -46.25 88.82 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -67.07 -32.14 73.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.221 -177.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.91 -55.33 15.12 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.294 174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -54.75 -43.58 72.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.261 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 84' ' ' LYS . 21.5 ptmt -67.24 -27.3 67.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.785 -178.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.523 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 68.9 mttm -96.16 -29.68 13.92 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.8 pt-20 -65.29 -5.62 7.66 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.08 -22.91 63.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.543 0.687 . . . . 0.0 109.465 170.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.615 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 12.2 t70 -121.78 127.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.616 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.37 -33.59 97.58 Favored 'Trans proline' 0 C--O 1.23 0.102 0 C-N-CA 122.721 2.281 . . . . 0.0 113.052 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -91.01 -40.45 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.698 -174.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.615 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -59.45 -41.58 89.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.32 0.581 . . . . 0.0 109.696 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -69.28 -49.57 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.534 177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -55.21 -48.09 74.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.424 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 97' ' ' ILE . 23.8 m -65.85 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.566 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 98' ' ' LEU . 46.5 t80 -57.04 -48.95 77.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.578 177.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.461 ' HD3' ' OE2' ' A' ' 33' ' ' GLU . 92.6 mttt -53.08 -44.34 67.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 174.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.6 t -64.62 -42.85 95.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 -176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 93' ' ' THR . 66.1 mt -65.29 -43.91 95.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.544 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD11 ' CE2' ' A' ' 94' ' ' TYR . 48.9 mt -59.46 -47.6 84.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.867 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.71 87.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.099 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.3 m -64.18 -19.87 65.61 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 0.0 110.232 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.22 -45.87 5.76 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.766 176.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.503 ' O ' HG22 ' A' ' 105' ' ' ILE . 68.5 t80 -65.91 -36.38 83.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.492 0.146 . . . . 0.0 110.777 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -47.34 -30.54 3.26 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.741 0.65 . . . . 0.0 112.615 -177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.73 -27.79 62.05 Favored Glycine 0 CA--C 1.524 0.629 0 C-N-CA 121.1 -0.571 . . . . 0.0 113.105 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.2 tp -57.96 -30.73 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.961 0.41 . . . . 0.0 111.264 -176.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.483 ' CZ ' ' HD2' ' A' ' 44' ' ' PHE . 98.5 m-85 -72.99 -17.91 61.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -100.57 25.05 8.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.651 0.739 . . . . 0.0 109.434 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 71.43 22.9 4.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.642 174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.46 150.66 47.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.67 146.93 32.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.187 0.517 . . . . 0.0 110.595 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.607 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 48.2 m -71.25 -27.8 63.71 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.828 -172.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -73.84 -32.94 63.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.264 0.554 . . . . 0.0 109.69 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.0 m -66.89 -49.43 65.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.966 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.415 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 28.2 m -65.6 -33.19 75.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.159 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HG ' HD13 ' A' ' 73' ' ' LEU . 6.1 tt -52.34 -49.19 64.8 Favored 'General case' 0 C--O 1.23 0.046 0 CA-C-O 121.0 0.429 . . . . 0.0 110.205 176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.605 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 21.2 m-80 -62.04 -41.06 97.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.322 -177.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -58.93 -36.31 74.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.057 0.456 . . . . 0.0 110.979 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.38 -35.32 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.389 -178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 16.5 ptmt -83.01 -24.24 32.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.33 -173.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 0.2 OUTLIER -100.37 8.0 43.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.08 -172.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.7 m -61.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 117.934 -1.032 . . . . 0.0 112.713 174.527 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.861 -0.496 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.47 3.9 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.7 ptm -70.69 -18.85 62.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.655 0.264 . . . . 0.0 111.441 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' O ' ' HD3' ' A' ' 6' ' ' PRO . . . 84.65 106.93 0.62 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.25 107.49 4.12 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 4' ' ' GLY . 6.8 Cg_exo -74.37 -17.82 20.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.945 2.43 . . . . 0.0 111.281 178.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.99 -19.61 61.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.326 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 31.0 mt-10 -82.78 -0.35 47.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 6' ' ' PRO . 21.5 pttp -78.92 -24.83 43.79 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.879 178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.754 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.4 pp -92.98 -27.35 17.08 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 121.363 0.601 . . . . 0.0 110.19 173.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.543 ' N ' HD12 ' A' ' 10' ' ' LEU . 55.1 t -56.0 -33.96 36.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.35 173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 m -69.79 -26.93 64.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.728 -177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 3.9 ptm180 -86.19 -14.73 43.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.086 0.469 . . . . 0.0 110.359 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.55 -33.14 12.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.096 178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 67.52 82.73 0.17 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.305 -0.862 . . . . 0.0 111.079 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.509 HD12 HG13 ' A' ' 11' ' ' VAL . 67.1 mt -99.83 154.68 18.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.32 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' ND2' ' HB ' ' A' ' 19' ' ' THR . 2.4 p-10 -101.73 172.23 7.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.945 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -55.98 -37.05 68.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.035 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.448 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 25.5 m -63.85 -34.11 77.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.6 mm-40 -78.58 -47.52 17.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.434 0.635 . . . . 0.0 109.796 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -65.58 -37.21 86.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.758 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.76 -31.89 61.91 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.472 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.3 m -65.03 -36.59 84.85 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.43 0.634 . . . . 0.0 109.449 171.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -41.77 96.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.731 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.6 m -56.39 -47.14 79.57 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.24 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' ' HE2' ' A' ' 95' ' ' LYS . 69.6 t80 -59.48 -48.88 79.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.19 178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -58.58 -53.03 62.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.554 -178.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -58.9 -34.54 71.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.502 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -73.55 -41.11 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -69.0 -28.06 66.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.016 0.436 . . . . 0.0 110.349 -178.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.9 mt -66.96 -40.9 87.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.079 176.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -74.99 -1.45 22.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.727 177.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.49 -50.69 3.83 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.863 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 96' ' ' SER . 12.6 mptt -92.63 -36.26 13.08 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.54 -15.96 63.71 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 122.046 -0.409 . . . . 0.0 112.032 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -74.48 -4.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.17 0.51 . . . . 0.0 110.6 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -91.94 132.61 32.31 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 174.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -64.25 -14.9 46.53 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 122.812 2.342 . . . . 0.0 113.616 -175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -93.85 -22.11 18.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.147 0.499 . . . . 0.0 110.065 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.7 mt -100.56 -46.9 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.453 -177.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.2 56.4 1.5 Allowed Glycine 0 N--CA 1.445 -0.753 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.28 -44.26 97.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.052 0.453 . . . . 0.0 109.914 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -80.5 -38.33 30.0 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' CE2' HG13 ' A' ' 54' ' ' ILE . 67.7 t80 -56.45 -55.9 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.704 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -67.02 -33.2 75.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.655 -175.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -80.31 -31.26 38.18 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.337 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.8 t -71.47 -30.73 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.315 177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.31 -51.75 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.281 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.74 48.03 6.02 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.146 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -124.78 138.48 54.27 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -51.33 -41.84 60.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.791 0.329 . . . . 0.0 111.005 175.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -59.0 -34.34 71.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.673 -178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 46.3 mmtt -67.23 -28.14 67.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.858 -178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.499 HG13 ' CE2' ' A' ' 44' ' ' PHE . 84.7 mt -71.82 -51.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -68.21 -30.64 69.76 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.424 -174.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.516 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 10.8 pt-20 -76.63 -32.82 58.25 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.55 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.1 m -70.35 -36.36 74.14 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.1 t -59.71 -40.86 83.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.133 0.492 . . . . 0.0 109.685 172.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 10' ' ' LEU . 61.5 tt0 -64.44 -47.68 78.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.897 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.8 tttp -59.57 -47.77 84.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.135 0.493 . . . . 0.0 110.596 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HZ ' ' HA ' ' A' ' 115' ' ' LEU . 11.3 t80 -53.1 -53.41 50.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.705 -1.134 . . . . 0.0 110.74 -177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.0 -25.89 56.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.64 -175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -75.77 -23.54 55.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.676 0.274 . . . . 0.0 111.021 -177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -96.4 4.25 52.32 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.542 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 81.3 mt -105.7 176.09 5.28 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.343 0.592 . . . . 0.0 110.925 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -94.27 152.2 18.86 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 172.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.75 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 4.1 tm-20 -54.26 -41.98 69.44 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -58.46 -43.09 88.73 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.501 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.89 -36.41 82.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.73 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.88 -43.42 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.75 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 11.6 mmmm -63.43 -35.36 80.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.665 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.13 -47.83 60.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.703 0.287 . . . . 0.0 110.533 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.6 OUTLIER -54.28 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.27 -178.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.81 -39.09 90.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.979 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.19 97.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.995 0.426 . . . . 0.0 110.544 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.63 -51.01 71.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.638 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 73' ' ' LEU . 42.8 mt -61.06 -42.14 91.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.72 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.481 ' C ' ' HD3' ' A' ' 78' ' ' LYS . 14.0 tmtt? -53.69 -54.81 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.759 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -70.19 -34.22 72.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -175.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.644 ' ND2' ' HA ' ' A' ' 122' ' ' ILE . 93.3 m-20 -65.75 -44.95 84.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.915 0.388 . . . . 0.0 110.032 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -58.43 -50.53 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.364 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -51.99 -41.99 62.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.465 -179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -78.21 -24.46 47.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.052 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.544 ' HD3' ' HB2' ' A' ' 94' ' ' TYR . 31.1 mttp -97.34 -25.88 15.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -174.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.443 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 13.1 pt-20 -72.14 1.48 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.444 0.64 . . . . 0.0 110.509 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD3' ' HB2' ' A' ' 87' ' ' ASP . 5.1 tmtt? -64.42 -30.72 71.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.518 168.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.569 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.6 t70 -124.97 128.79 24.76 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 -38.48 93.95 Favored 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.782 2.322 . . . . 0.0 113.035 -177.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 92' ' ' ASN . 21.1 mt-10 -96.33 -25.88 15.58 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -172.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.569 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 43.3 mt-10 -63.54 -45.25 91.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 169.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' CD1' ' HE3' ' A' ' 95' ' ' LYS . 3.1 tm? -64.73 -46.75 80.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.944 175.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 56.8 t30 -51.48 -53.05 41.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.598 176.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 97' ' ' ILE . 32.3 m -60.43 -36.49 78.31 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.011 0.434 . . . . 0.0 110.606 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.544 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 16.3 t80 -58.3 -49.08 78.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.768 178.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 98.6 mttt -49.87 -47.21 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.046 174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.846 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 1.2 m -63.8 -40.56 96.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.622 -175.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 93' ' ' THR . 57.5 mt -66.34 -43.71 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.263 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.65 -49.52 77.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.034 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.82 84.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.282 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.5 m -65.74 -25.9 67.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.041 0.448 . . . . 0.0 110.943 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.15 -32.92 19.14 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.02 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.532 ' O ' HG22 ' A' ' 105' ' ' ILE . 85.4 t80 -77.23 -37.28 53.62 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.012 -0.111 . . . . 0.0 111.038 -178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -48.88 -24.84 1.61 Allowed 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.198 0.599 . . . . 0.0 112.51 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.55 -28.32 62.3 Favored Glycine 0 CA--C 1.523 0.559 0 C-N-CA 121.075 -0.584 . . . . 0.0 112.908 178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.7 tp -61.9 -27.78 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-O 120.987 0.422 . . . . 0.0 110.917 -178.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -76.77 -2.04 31.16 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.111 0.482 . . . . 0.0 110.967 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -101.83 25.63 8.39 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.5 31.03 20.73 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.999 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.19 168.08 20.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.551 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -81.81 151.35 27.42 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.559 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.49 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.3 m -77.08 -33.82 57.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.359 -174.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -75.14 -36.68 61.55 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 25.0 m -62.83 -40.89 98.79 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.59 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.579 ' HA ' ' NZ ' ' A' ' 117' ' ' LYS . 56.5 m -73.09 -34.98 66.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.447 177.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.61 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 36.4 tp -56.76 -50.1 73.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.671 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 86.7 m-20 -54.62 -39.87 68.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.722 -176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.579 ' NZ ' ' HA ' ' A' ' 114' ' ' THR . 35.3 mtmm -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.18 178.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.57 -38.24 67.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.065 0.459 . . . . 0.0 111.034 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.4 ptmt -75.5 -16.56 60.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.261 0.553 . . . . 0.0 110.295 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -97.47 -6.47 33.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.551 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 27.2 m -61.26 -64.84 0.82 Allowed 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.354 -177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.644 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 62.8 mt . . . . . 0 C--O 1.252 1.194 0 O-C-N 123.394 0.434 . . . . 0.0 111.923 177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.37 103.72 16.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.09 0.471 . . . . 0.0 110.787 -178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.512 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 3.3 mmt -87.01 -24.62 24.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.691 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.76 13.74 82.81 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.578 -0.82 . . . . 0.0 111.595 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' ' HE2' ' A' ' 9' ' ' LYS . 17.7 p 40.4 77.32 0.43 Allowed Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.806 0.842 . . . . 0.0 112.567 -178.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' HG2' HD12 ' A' ' 7' ' ' LEU . 60.8 Cg_endo -74.93 -15.89 20.68 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.446 2.097 . . . . 0.0 113.151 -176.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HG2' ' A' ' 6' ' ' PRO . 7.4 mp -76.87 -45.72 27.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.615 0.245 . . . . 0.0 110.842 -176.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HG2' ' HB ' ' A' ' 5' ' ' THR . 7.0 pt-20 -58.98 -21.57 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -176.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' HE2' ' O ' ' A' ' 5' ' ' THR . 69.9 mmtt -70.11 -36.66 75.0 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.311 0.577 . . . . 0.0 109.712 -171.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.705 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -94.5 -27.94 15.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.467 -179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' N ' HD12 ' A' ' 10' ' ' LEU . 85.4 t -56.92 -33.25 41.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 121.167 0.508 . . . . 0.0 110.087 176.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.1 m -69.64 -32.8 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.347 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 13.5 ptm180 -84.28 -20.35 32.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.861 0.362 . . . . 0.0 110.637 -178.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 70' ' ' ILE . 2.9 mm? -76.52 -36.87 57.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.901 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 64.12 80.25 0.24 Allowed 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.751 0.657 . . . . 0.0 110.593 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.4 mt -101.19 154.05 19.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.85 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -84.27 149.19 26.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -48.81 -40.85 30.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.751 0.31 . . . . 0.0 110.851 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -62.51 -36.83 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.062 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -79.24 -44.91 20.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 0.0 110.183 -178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -60.83 -38.02 84.04 Favored 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.781 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.66 -28.9 62.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.305 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.4 m -62.24 -37.84 86.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 169.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HG ' HD21 ' A' ' 74' ' ' LEU . 0.5 OUTLIER -66.42 -41.27 89.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.599 175.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.6 m -57.94 -43.42 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.193 173.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.99 -45.18 93.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.959 177.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 47.5 tp -61.4 -51.4 68.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.484 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 m -58.51 -36.92 74.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -69.29 -42.63 75.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.666 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.47 -28.64 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.368 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 91.1 mt -67.24 -44.12 80.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG2' HD12 ' A' ' 54' ' ' ILE . 85.7 mttt -71.3 -6.39 39.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 0.0 111.25 176.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.29 -41.52 7.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HB3' HG21 ' A' ' 40' ' ' ILE . 66.6 mmtt -98.05 -37.19 9.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -173.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.55 -13.53 61.12 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -74.96 -7.72 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.047 0.451 . . . . 0.0 110.782 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -89.38 130.37 44.02 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.39 -12.79 34.81 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.708 2.272 . . . . 0.0 113.817 -175.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -94.6 -22.6 18.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 110.066 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.435 HG21 ' HB3' ' A' ' 34' ' ' LYS . 21.1 mt -98.51 -46.05 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.012 -178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.95 58.35 1.22 Allowed Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 42' ' ' LEU . 1.5 tm? -61.49 -41.12 96.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.402 0.62 . . . . 0.0 109.478 -177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.833 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 81.1 m-70 -93.18 -31.76 14.65 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.311 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 49' ' ' GLY . 81.9 t80 -54.88 -54.25 44.93 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.314 0.384 . . . . 0.0 110.056 175.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -54.09 -43.76 70.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.242 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.833 ' ND2' ' HA ' ' A' ' 43' ' ' HIS . 1.2 p30 -88.34 -22.13 24.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.188 -167.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 t -99.91 -21.9 15.5 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.092 0.472 . . . . 0.0 110.791 -176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.3 74.56 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.445 -178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . -69.28 66.33 0.54 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.674 -0.298 . . . . 0.0 113.353 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -135.66 148.12 48.83 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -56.04 -39.15 71.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -66.22 -26.68 67.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.36 -176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HA ' ' HG2' ' A' ' 56' ' ' GLU . 32.4 mmmt -73.83 -22.88 59.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.194 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.437 HD12 ' HG2' ' A' ' 32' ' ' LYS . 73.5 mt -76.42 -50.79 21.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -63.43 -35.04 79.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.367 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 53' ' ' LYS . 7.6 pt-20 -74.93 -29.03 60.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.049 0.452 . . . . 0.0 110.381 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.6 t -73.56 -47.73 38.42 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.971 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 54' ' ' ILE . 59.8 t -59.27 -40.21 80.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-O 121.005 0.431 . . . . 0.0 110.041 176.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.3 tm0? -61.33 -51.93 66.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.053 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -60.8 -45.86 92.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.857 0.36 . . . . 0.0 110.711 178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.595 ' CE1' HD11 ' A' ' 65' ' ' LEU . 10.5 t80 -50.54 -57.79 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.592 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.7 mt -69.74 -28.02 65.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.061 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 t -70.76 -16.46 62.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.452 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -100.22 1.61 42.04 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 120.675 0.274 . . . . 0.0 111.635 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.595 HD11 ' CE1' ' A' ' 61' ' ' PHE . 86.8 mt -103.12 179.44 4.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.269 0.557 . . . . 0.0 111.446 -175.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -91.23 159.38 16.08 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 173.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 2.0 mp0 -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.92 -36.76 84.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.345 -176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -68.51 -43.27 77.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.653 HD12 HD11 ' A' ' 14' ' ' LEU . 78.0 mt -65.72 -46.3 89.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.794 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 30.4 mmmt -56.67 -45.06 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.43 -37.82 71.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.536 ' O ' HG13 ' A' ' 77' ' ' ILE . 46.8 tp -58.69 -56.68 19.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.677 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 HD21 ' HG ' ' A' ' 24' ' ' LEU . 91.3 mt -61.2 -34.83 75.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.975 -179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.28 -44.87 95.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.341 175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.47 -53.03 62.44 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.62 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.583 ' HA ' ' OH ' ' A' ' 94' ' ' TYR . 44.5 mt -58.75 -40.5 79.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.741 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tttm -61.53 -55.09 34.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.326 0.584 . . . . 0.0 110.454 178.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -64.75 -28.56 69.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.511 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.503 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 84.6 m-20 -87.9 -31.09 19.65 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.171 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -64.07 -51.34 64.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -50.91 -43.02 59.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.266 -178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 8.4 ptpp? -75.02 -33.68 61.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.727 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.452 ' HG3' ' HG3' ' A' ' 83' ' ' LYS . 91.7 mttt -93.4 -19.35 21.39 Favored 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -172.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.63 -6.51 31.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.276 0.56 . . . . 0.0 110.666 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -59.72 -32.38 70.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.009 169.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 90' ' ' GLU . 18.8 t70 -123.87 127.39 25.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.457 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.6 -32.56 93.51 Favored 'Trans proline' 0 CA--C 1.525 0.073 0 C-N-CA 123.003 2.469 . . . . 0.0 113.034 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -89.28 -35.14 16.31 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.582 ' HB3' ' HB3' ' A' ' 87' ' ' ASP . 7.0 tp10 -66.27 -44.67 82.95 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.23 -39.88 95.88 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.173 173.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -56.96 -48.22 78.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.227 177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.608 ' O ' HG13 ' A' ' 97' ' ' ILE . 27.8 m -63.6 -44.22 94.62 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.234 178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 49.0 t80 -53.14 -55.41 24.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.864 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -56.88 -38.28 72.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.114 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.5 m -68.44 -42.83 78.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.07 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 93' ' ' THR . 77.0 mt -59.17 -56.48 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.59 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.3 mp -47.59 -45.09 26.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.56 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.439 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 p -67.05 -18.72 65.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -89.1 -37.1 7.32 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.579 -0.819 . . . . 0.0 111.856 175.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 105' ' ' ILE . 80.4 t80 -68.6 -39.9 80.68 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -45.65 -31.72 2.04 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.624 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.44 -30.58 55.83 Favored Glycine 0 CA--C 1.521 0.428 0 C-N-CA 121.137 -0.554 . . . . 0.0 113.063 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.62 HG22 ' O ' ' A' ' 102' ' ' PHE . 17.7 tt -62.5 -27.77 43.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 CA-C-N 116.738 0.269 . . . . 0.0 111.622 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -73.29 -7.87 53.39 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 121.174 0.511 . . . . 0.0 110.619 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -100.55 30.69 3.8 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 61.26 37.44 17.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.54 177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -85.64 167.87 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.953 -1.021 . . . . 0.0 111.053 178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -80.94 155.58 26.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.441 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.6 m -86.07 -24.66 26.24 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -73.85 -46.8 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.7 t -63.15 -32.73 74.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.926 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.401 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 36.0 m -77.18 -34.4 56.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.047 0.451 . . . . 0.0 110.468 176.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HA ' ' HZ ' ' A' ' 61' ' ' PHE . 31.9 tp -61.39 -50.83 71.28 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.032 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 83.1 m-20 -54.66 -40.63 69.23 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.4 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -56.34 -50.24 72.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 0.0 110.642 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.27 -43.52 81.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.067 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.524 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 13.5 ptmt -74.17 -17.59 60.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.815 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -108.58 11.75 26.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.395 -178.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 93.5 m -69.51 -55.26 10.69 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.373 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.0 mt . . . . . 0 C--O 1.253 1.275 0 O-C-N 123.597 0.561 . . . . 0.0 110.233 -173.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.72 -46.61 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.752 -0.224 . . . . 0.0 110.711 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 11.7 tpt 64.97 -76.76 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.925 0.765 . . . . 0.0 111.955 179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.65 -131.56 5.69 Favored Glycine 0 N--CA 1.444 -0.781 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 8' ' ' GLU . 3.3 p -127.56 85.07 61.69 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.954 0.377 . . . . 0.0 111.644 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -81.16 -23.63 5.14 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.309 2.006 . . . . 0.0 111.936 175.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.7 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.1 pt? -88.72 -5.42 58.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.561 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.53 ' HB3' ' HB ' ' A' ' 5' ' ' THR . 8.1 pt-20 -60.55 -22.92 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -75.38 -41.05 57.24 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.655 0.741 . . . . 0.0 109.589 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -77.74 -39.06 45.59 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.133 -0.94 . . . . 0.0 109.493 175.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 16' ' ' LEU . 40.4 t -56.41 -35.81 44.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.071 177.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -73.94 -25.89 60.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.221 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 18.9 ptp180 -90.72 -22.51 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.724 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.3 mm? -80.07 -10.92 59.8 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 55.94 75.81 0.31 Allowed 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.324 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 11' ' ' VAL . 63.7 mt -97.32 148.03 23.56 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.347 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -117.78 -171.25 2.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.249 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.479 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 4.4 p-10 -51.06 -29.13 12.03 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.722 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HB ' ' OE2' ' A' ' 20' ' ' GLU . 27.0 m -69.29 -48.66 60.98 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.579 179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.3 mp0 -79.97 -40.17 28.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.871 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -66.96 -35.83 80.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 18' ' ' ASN . 65.7 mm-40 -63.37 -44.2 95.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.111 0.482 . . . . 0.0 109.786 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HB ' ' A' ' 77' ' ' ILE . 10.9 m -61.07 -48.47 81.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.012 177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.78 -38.08 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.258 -177.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 32.2 m -64.99 -47.46 77.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.254 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.14 -45.96 91.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.921 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 4.4 tt -61.42 -57.68 11.23 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.1 -175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -59.76 -36.91 77.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.821 -175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -73.28 -36.88 66.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.8 pp -69.28 -37.43 77.86 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -178.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 27' ' ' LEU . 7.6 mp -55.01 -43.55 73.72 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.927 172.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HG2' HD12 ' A' ' 54' ' ' ILE . 89.0 mttt -70.14 -7.77 44.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.8 0.333 . . . . 0.0 111.569 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' OE2' ' HE2' ' A' ' 34' ' ' LYS . 36.0 tt0 -101.8 -44.21 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.206 0.527 . . . . 0.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.57 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.2 mmtt -92.2 -39.44 11.55 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.94 -19.18 65.78 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -173.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.7 m -70.59 -9.72 12.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.016 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.69 133.2 32.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -62.99 -13.94 38.31 Favored 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.891 2.394 . . . . 0.0 113.78 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -91.92 -24.49 19.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.171 0.51 . . . . 0.0 109.904 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.57 HG21 ' HB3' ' A' ' 34' ' ' LYS . 22.1 mt -100.7 -46.96 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.404 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.9 63.6 0.28 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.24 -42.75 96.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.155 0.503 . . . . 0.0 110.065 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 106' ' ' PHE . 85.4 m-70 -83.29 -33.66 25.91 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.63 -55.17 37.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.114 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -58.57 -42.41 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.992 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -85.74 2.2 46.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.877 -175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 t -97.19 -18.52 19.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.509 0.671 . . . . 0.0 109.447 174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.24 -34.16 0.65 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.93 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.32 54.6 15.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.091 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.1 139.58 51.53 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -67.06 -29.67 69.52 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.323 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -81.81 -21.22 37.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 18.4 mmtm -62.87 -27.76 69.57 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.052 175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 92.8 mt -69.54 -49.63 57.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.411 175.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -59.19 -42.63 91.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.549 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -58.89 -49.49 77.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.755 177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 t -68.01 -39.14 83.24 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.161 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 54' ' ' ILE . 89.3 t -62.67 -41.83 93.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -59.6 -52.91 63.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.373 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.86 -49.55 76.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.21 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.518 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.6 t80 -52.37 -55.09 23.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.857 -176.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 70' ' ' ILE . 72.2 mt -77.0 -20.34 56.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.47 -174.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.4 t -76.93 -26.08 53.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.801 0.334 . . . . 0.0 110.562 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -84.69 -15.93 43.55 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.539 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD11 ' CE1' ' A' ' 61' ' ' PHE . 88.6 mt -89.3 171.32 9.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 111.06 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 66' ' ' LYS . 37.9 mmtm -92.69 171.34 9.06 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.655 0.741 . . . . 0.0 111.363 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 0.8 OUTLIER -66.71 -38.01 85.86 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.673 -176.436 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -71.21 -37.21 72.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.162 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.6 mt-10 -72.77 -32.62 65.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.125 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.614 HD12 ' HG ' ' A' ' 14' ' ' LEU . 75.8 mt -69.48 -43.84 80.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.735 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 36.1 mmtm -51.8 -50.49 60.65 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.314 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.38 -49.39 69.96 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.733 HD11 ' HG ' ' A' ' 115' ' ' LEU . 11.0 mt -58.05 -63.4 1.27 Allowed 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.691 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.2 mt -66.33 -28.3 68.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.086 -171.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 79' ' ' GLU . . . -67.03 -43.11 83.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.088 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -70.56 -46.13 64.11 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.243 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.613 HG13 ' O ' ' A' ' 73' ' ' LEU . 40.1 mt -58.91 -29.9 41.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.823 0.344 . . . . 0.0 110.132 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' A' ' 78' ' ' LYS . 19.8 ttpp -69.61 -63.05 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.736 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 75' ' ' ALA . 43.7 mt-10 -54.86 -41.01 70.26 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.301 -178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -72.77 -24.45 60.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.902 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 78' ' ' LYS . 40.9 tttm -72.05 -52.08 18.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 171.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -53.63 -34.91 60.19 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.188 -0.914 . . . . 0.0 112.011 -176.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.11 -35.24 37.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.641 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.98 -23.14 22.71 Favored 'General case' 0 CA--C 1.521 -0.165 0 O-C-N 122.211 -0.306 . . . . 0.0 111.726 -175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 8.3 pt-20 -66.63 -10.9 50.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.438 -176.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 87' ' ' ASP . 16.1 tptp -51.44 -47.64 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 171.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 1.3 m-20 -107.68 114.12 60.73 Favored Pre-proline 0 N--CA 1.444 -0.732 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.359 175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -49.45 -41.15 44.49 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.273 2.649 . . . . 0.0 113.225 -175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -82.97 -19.85 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.532 -176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.504 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -70.74 -47.39 59.93 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 172.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 64.4 tp -62.89 -38.38 90.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.374 174.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.53 -37.86 79.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.452 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 97' ' ' ILE . 57.1 m -67.59 -43.11 81.32 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.065 176.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 98' ' ' LEU . 24.1 t80 -56.54 -50.6 71.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.718 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 48.9 mtpt -53.47 -43.2 67.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.886 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.5 m -67.64 -38.15 83.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.647 -176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 93' ' ' THR . 63.0 mt -66.59 -44.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.204 176.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD11 ' CE1' ' A' ' 94' ' ' TYR . 89.0 mt -55.97 -49.11 74.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.087 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.74 91.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -60.76 -31.25 70.59 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.41 177.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.81 -39.23 25.23 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.705 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.7 t80 -71.59 -35.39 70.52 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.4 t70 -51.65 -25.44 7.12 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.68 -30.12 62.14 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.903 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.3 tt -65.6 -25.33 36.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 120.99 0.424 . . . . 0.0 111.334 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 96.3 m-85 -76.94 5.19 8.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.348 0.594 . . . . 0.0 110.687 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -116.06 29.12 8.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 173.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 64.25 39.93 7.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.308 -1.314 . . . . 0.0 110.874 173.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -89.45 150.96 22.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.465 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.91 148.78 50.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.31 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.8 m -73.18 -38.78 66.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.778 -175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -72.27 -36.27 68.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.181 0.515 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.0 m -61.9 -44.29 97.11 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.447 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.408 ' HB ' ' HE2' ' A' ' 61' ' ' PHE . 30.5 m -70.83 -28.18 64.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.971 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.733 ' HG ' HD11 ' A' ' 73' ' ' LEU . 7.2 tt -51.5 -43.28 62.19 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.016 0.436 . . . . 0.0 110.142 174.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 120' ' ' ASP . 50.2 m-80 -59.38 -30.34 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.704 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -68.66 -50.65 49.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.675 0.274 . . . . 0.0 110.988 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.57 -39.95 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.135 0.493 . . . . 0.0 110.448 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -62.69 -32.0 73.01 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.415 177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 12.0 t70 -86.79 -7.95 57.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.764 -172.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.4 m -69.44 -54.11 15.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.033 -173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.253 1.249 0 O-C-N 123.739 0.649 . . . . 0.0 110.072 -177.465 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.33 144.99 30.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.63 0.252 . . . . 0.0 110.743 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.5 ptp -86.86 8.3 23.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.245 0.545 . . . . 0.0 110.004 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.44 -80.8 0.33 Allowed Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -171.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p -136.86 87.51 19.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.489 0.661 . . . . 0.0 110.137 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.645 ' HD2' HD13 ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.86 -16.0 18.6 Favored 'Trans proline' 0 CA--C 1.528 0.183 0 C-N-CA 123.061 2.508 . . . . 0.0 113.782 -172.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.645 HD13 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -96.45 -25.04 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -172.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.34 -21.77 61.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.043 -0.41 . . . . 0.0 111.924 -173.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -78.38 -28.31 46.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 -170.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 pp -88.66 -29.26 20.05 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.057 0.456 . . . . 0.0 109.982 175.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.552 ' N ' HD12 ' A' ' 10' ' ' LEU . 56.0 t -65.01 -35.35 75.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.116 174.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.8 t -66.35 -39.71 89.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.742 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 15.6 ptm180 -73.47 -13.08 61.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.979 0.418 . . . . 0.0 111.312 -177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -86.03 -32.58 21.38 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' A' ' 15' ' ' ASN . 9.4 m120 62.51 86.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.03 -176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 38.7 mt -100.06 165.31 11.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.495 176.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' CG ' ' HG2' ' A' ' 20' ' ' GLU . 1.9 p-10 -107.5 167.76 9.71 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 176.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -53.15 -35.24 59.52 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.313 0.383 . . . . 0.0 111.097 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 ' HB ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 m -60.51 -45.08 95.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.365 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 8.8 mm-40 -74.11 -42.34 60.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.819 179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 4.5 mmmp? -64.84 -37.4 87.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.214 -176.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -70.22 -38.74 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 89.1 m -63.79 -42.86 97.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.984 0.421 . . . . 0.0 110.292 174.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.21 -41.96 97.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.062 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.1 m -61.44 -47.71 84.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.029 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' HD2' ' A' ' 81' ' ' LYS . 53.6 t80 -54.09 -48.3 70.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.006 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -60.1 -55.21 36.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.33 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.1 m -60.62 -35.46 76.22 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.529 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -48.57 73.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.986 178.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.7 pp -69.29 -25.39 64.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.027 -177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 86.2 mt -66.22 -44.57 83.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 0.0 110.238 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.18 -5.78 43.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -103.06 -46.9 4.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HB3' HG21 ' A' ' 40' ' ' ILE . 75.9 mmtt -92.15 -37.49 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.556 0.576 . . . . 0.0 112.556 -172.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.68 -18.63 65.47 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -69.58 -11.93 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.122 0.487 . . . . 0.0 110.488 178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.05 129.77 52.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.57 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -63.27 -14.22 40.66 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.847 2.365 . . . . 0.0 113.723 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -93.67 -22.57 18.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.037 0.446 . . . . 0.0 109.893 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.554 HG21 ' HB3' ' A' ' 34' ' ' LYS . 18.7 mt -100.54 -45.15 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.213 -178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.81 58.88 0.78 Allowed Glycine 0 N--CA 1.441 -0.977 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.3 -42.02 99.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 96.1 m-70 -81.86 -37.07 27.52 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -55.28 -59.84 4.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.041 177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -57.69 -39.42 77.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 0.0 111.526 -175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -84.77 -27.46 26.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.408 -171.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.6 t -89.31 -35.39 16.15 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.268 0.556 . . . . 0.0 110.031 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.43 75.72 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.2 68.47 0.35 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.566 -0.35 . . . . 0.0 113.297 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.5 t70 -129.33 149.23 51.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.39 -38.98 78.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.536 -176.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.472 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 77.7 p -67.45 -26.59 66.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.746 -176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HG2' ' HB3' ' A' ' 50' ' ' ASP . 27.9 mmmt -65.94 -37.47 86.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 81.3 mt -62.15 -43.91 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.462 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.75 -25.95 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.679 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 52' ' ' SER . 52.0 mt-10 -79.52 -44.06 21.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.663 175.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.3 m -65.23 -45.59 84.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.9 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 54' ' ' ILE . 98.6 t -57.63 -39.73 71.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.339 0.59 . . . . 0.0 109.87 176.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.535 ' HG2' HD21 ' A' ' 10' ' ' LEU . 1.2 tm0? -66.67 -49.67 65.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.537 -178.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.62 -32.72 71.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.173 -177.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.5 t80 -59.07 -54.24 49.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.435 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD23 HD12 ' A' ' 65' ' ' LEU . 55.0 mt -77.99 -23.85 48.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.822 -173.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.4 p -67.51 -25.61 65.93 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -89.07 -20.54 24.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.108 0.48 . . . . 0.0 111.097 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.8 mt -77.06 -172.62 2.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.422 0.629 . . . . 0.0 111.75 -173.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 2.2 mptp? -118.37 149.99 40.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.686 176.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG2' HD22 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -56.27 -38.57 71.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.526 -174.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.66 -45.07 91.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.94 -35.31 79.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.993 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 66' ' ' LYS . 90.9 mt -62.4 -54.62 31.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.742 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -53.26 -46.17 69.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.699 0.285 . . . . 0.0 111.726 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.2 -35.62 80.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.772 0.32 . . . . 0.0 111.004 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.523 ' O ' HG13 ' A' ' 77' ' ' ILE . 58.2 tp -67.42 -57.45 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.42 -40.59 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.639 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.61 79.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.987 0.423 . . . . 0.0 110.948 178.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -69.93 -46.57 65.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.233 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 73' ' ' LEU . 44.5 mt -61.01 -37.74 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.1 tttm -57.45 -50.39 73.18 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.63 -37.81 87.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.832 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -65.56 -45.18 84.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.557 177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD2' ' CD2' ' A' ' 26' ' ' PHE . 51.9 tttm -60.85 -47.73 85.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.282 175.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -51.19 -44.47 61.55 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.166 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -81.26 -22.59 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.377 -178.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -94.89 -23.25 17.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -175.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 14.6 pt-20 -75.18 -6.55 50.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.253 0.549 . . . . 0.0 110.025 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.0 tttm -61.25 -32.07 71.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.091 -0.958 . . . . 0.0 109.894 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' HB2' ' HB2' ' A' ' 90' ' ' GLU . 3.5 m-20 -121.14 141.07 32.18 Favored Pre-proline 0 N--CA 1.439 -0.994 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.854 -178.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 87' ' ' ASP . 32.0 Cg_exo -56.92 -59.07 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.181 0 C-N-CA 122.98 2.453 . . . . 0.0 112.612 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -73.92 -28.33 61.47 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . 27.7 mm-40 -58.16 -52.56 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.034 0.445 . . . . 0.0 110.52 173.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 53.1 tp -67.06 -43.55 82.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.75 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -59.23 -44.47 92.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.245 -177.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 ' O ' HG12 ' A' ' 97' ' ' ILE . 91.5 m -63.21 -42.74 99.32 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -61.29 -47.47 85.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.77 -175.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.499 ' HA ' HD22 ' A' ' 30' ' ' LEU . 49.9 mtpt -51.51 -39.34 57.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.805 175.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.4 m -67.75 -34.6 77.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 93' ' ' THR . 4.9 mm -69.71 -50.77 46.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.435 0.636 . . . . 0.0 110.006 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 49.0 mt -51.92 -45.3 64.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.376 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -44.06 72.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.762 -178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.5 p -69.68 -15.35 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.245 0.545 . . . . 0.0 110.505 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.48 -40.65 7.71 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.739 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 89.0 t80 -70.51 -35.76 73.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 110.178 178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -43.06 -30.27 0.42 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.219 1.008 . . . . 0.0 113.271 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.84 -30.71 60.21 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 120.963 -0.637 . . . . 0.0 113.148 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.1 tp -59.2 -33.14 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 CA-C-O 120.822 0.344 . . . . 0.0 111.34 -176.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -69.01 -19.35 64.13 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.178 0.513 . . . . 0.0 110.562 -178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 6.7 t30 -94.36 17.15 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.464 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 70.69 23.97 4.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.069 -0.968 . . . . 0.0 110.895 177.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.37 148.66 51.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.899 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.418 ' OD1' ' HB3' ' A' ' 112' ' ' LYS . 21.1 t70 -66.33 147.16 53.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.023 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -76.15 -33.52 59.37 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.801 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.418 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . 56.1 tptt -72.12 -40.01 68.44 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.0 m -62.62 -47.92 81.65 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.822 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.436 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.5 m -68.56 -31.12 70.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.907 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.483 HD12 HD22 ' A' ' 65' ' ' LEU . 4.4 tt -56.1 -48.98 75.11 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.902 0.382 . . . . 0.0 110.015 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -55.17 -40.81 71.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.324 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -61.99 -41.95 98.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.888 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.11 -41.31 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.286 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.16 -28.27 65.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.316 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.62 13.54 31.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.955 -174.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 60.0 m -62.03 -79.15 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.372 -178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.251 1.173 0 O-C-N 123.553 0.533 . . . . 0.0 111.088 179.707 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.84 -35.82 64.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.024 0.44 . . . . 0.0 110.095 -178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.783 ' HG3' ' HD3' ' A' ' 6' ' ' PRO . 33.3 tpp -83.72 -37.7 22.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.52 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.37 8.66 32.81 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.2 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p 46.65 76.38 0.55 Allowed Pre-proline 0 N--CA 1.464 0.272 0 C-N-CA 123.178 0.591 . . . . 0.0 111.961 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.783 ' HD3' ' HG3' ' A' ' 3' ' ' MET . 46.7 Cg_endo -68.81 -9.11 25.3 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.821 2.347 . . . . 0.0 111.421 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.433 ' H ' ' HG ' ' A' ' 7' ' ' LEU . 2.5 pp -63.75 -14.62 54.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.284 176.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.495 ' HG3' ' HG3' ' A' ' 9' ' ' LYS . 2.9 pt-20 -45.74 -40.59 9.66 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.495 ' HG3' ' HG3' ' A' ' 8' ' ' GLU . 57.2 mttm -79.53 -33.1 42.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.988 0.423 . . . . 0.0 111.09 -169.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.614 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.6 pp -83.69 -28.82 28.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.279 0.562 . . . . 0.0 110.127 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' HD12 ' A' ' 10' ' ' LEU . 18.9 t -60.05 -36.12 65.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.134 173.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 m -66.2 -33.46 75.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.118 -178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 10.9 ptp180 -83.46 -13.44 54.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.006 0.432 . . . . 0.0 110.882 -178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 70' ' ' ILE . 77.1 mt -89.93 -20.03 23.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.178 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 57.57 84.51 0.1 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.474 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 61.1 mt -99.29 151.56 20.9 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -116.54 -173.94 2.47 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.986 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -51.77 -30.61 23.53 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.541 0.525 . . . . 0.0 111.394 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -69.37 -39.92 77.77 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.092 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 3.2 mp0 -83.97 -43.26 15.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.04 0.448 . . . . 0.0 111.392 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mtpm? -66.65 -38.67 87.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.085 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -64.23 -37.47 87.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.952 0.406 . . . . 0.0 110.275 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.532 ' CG2' ' HB ' ' A' ' 77' ' ' ILE . 5.0 m -60.56 -54.12 49.28 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-O 121.877 0.846 . . . . 0.0 110.82 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.85 -34.31 77.08 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 114.201 -1.363 . . . . 0.0 111.204 -172.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.9 m -64.14 -40.08 95.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.236 0.541 . . . . 0.0 109.926 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 57.3 t80 -68.83 -48.77 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.945 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.8 tp -59.97 -55.26 36.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.431 -176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 m -56.9 -35.83 69.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.847 0.355 . . . . 0.0 111.537 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -78.73 -33.56 46.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -71.94 -29.13 63.97 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.062 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 92.8 mt -64.91 -42.25 94.88 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.0 mttt -72.49 -11.39 60.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.117 0.484 . . . . 0.0 110.796 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.07 -34.8 14.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.877 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.542 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.0 mmtt -105.63 -40.19 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -172.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.17 -15.86 63.5 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -71.13 -13.19 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.096 0.474 . . . . 0.0 110.774 177.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -87.41 130.07 48.91 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 175.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.76 -9.0 19.34 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.063 2.509 . . . . 0.0 113.304 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -95.7 -17.11 21.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.129 0.49 . . . . 0.0 110.075 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 34' ' ' LYS . 27.9 mt -109.23 -48.66 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 -177.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.36 59.52 0.71 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.42 -43.73 98.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.261 -0.469 . . . . 0.0 109.861 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -82.65 -34.27 27.54 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 54' ' ' ILE . 55.6 t80 -60.05 -54.67 43.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.256 178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -34.33 77.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.55 -175.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -94.04 -5.97 46.27 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.53 0.566 . . . . 0.0 112.53 -172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.1 t -130.08 -0.7 4.66 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.822 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.13 -66.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.318 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 67.96 28.24 73.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.27 -0.491 . . . . 0.0 113.653 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -150.54 149.06 29.45 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 117.401 0.6 . . . . 0.0 111.011 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -55.86 -36.71 67.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.599 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.454 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 12.3 m -58.29 -38.42 76.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.137 -178.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 53' ' ' LYS . 22.3 mmtm -67.74 -25.76 65.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.182 -177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 58' ' ' VAL . 79.7 mt -73.71 -49.31 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.59 -34.01 73.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.188 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 52' ' ' SER . 45.4 mt-10 -70.01 -41.48 74.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.1 m -68.38 -37.68 80.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.53 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 54' ' ' ILE . 60.8 t -60.42 -39.01 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.524 ' HG3' HD21 ' A' ' 10' ' ' LEU . 62.8 tt0 -66.41 -53.54 34.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.091 177.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 49.2 tptt -52.42 -47.47 66.31 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 123.124 0.57 . . . . 0.0 111.027 177.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 65' ' ' LEU . 17.6 t80 -57.53 -56.96 15.08 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.076 -176.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.85 -20.63 60.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.935 -172.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 m -78.07 -21.57 50.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.38 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 5.7 mm-40 -89.91 -7.77 53.38 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.066 0.46 . . . . 0.0 110.963 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD11 ' CE1' ' A' ' 61' ' ' PHE . 98.1 mt -100.55 -176.59 3.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.507 -175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 54.6 mtmt -95.57 157.38 15.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.231 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -61.2 -38.18 85.62 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.695 177.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.74 -45.31 74.13 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.558 173.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.543 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 41.8 mt-10 -71.18 -35.9 71.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.389 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.534 HD13 HD13 ' A' ' 14' ' ' LEU . 79.3 mt -61.27 -45.61 98.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -57.68 -52.66 64.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.645 173.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -54.85 -42.56 72.13 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.65 ' O ' HG13 ' A' ' 77' ' ' ILE . 3.4 mt -59.87 -66.88 0.45 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.993 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.421 ' HA ' HG21 ' A' ' 23' ' ' THR . 89.1 mt -65.92 -37.3 85.72 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -171.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.59 65.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.302 0.573 . . . . 0.0 110.438 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -83.75 -46.73 11.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.884 179.481 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 73' ' ' LEU . 49.3 mt -58.27 -35.2 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 177.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -52.81 -60.74 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.941 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 20.1 tt0 -59.8 -45.24 92.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.985 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -58.3 -48.64 79.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.427 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 36.7 tttm -54.38 -54.68 37.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.529 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -67.58 -17.1 64.51 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.828 -1.078 . . . . 0.0 113.23 -172.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 23.5 pttm -105.26 6.02 32.52 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.36 174.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' HG2' ' OE1' ' A' ' 90' ' ' GLU . 62.6 mttm -115.04 -27.41 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.604 174.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.37 -19.65 62.11 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -177.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -53.29 -46.17 69.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.731 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -108.95 111.36 60.68 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.595 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.7 -47.72 19.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 123.458 2.772 . . . . 0.0 113.593 -172.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -73.44 -24.91 60.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' HG2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -70.17 -41.03 74.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.702 0.763 . . . . 0.0 108.959 176.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.72 -47.56 30.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -55.49 -41.48 73.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.541 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.524 ' O ' HG13 ' A' ' 97' ' ' ILE . 31.1 m -69.43 -36.65 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.296 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.411 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 38.8 t80 -57.5 -48.13 80.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.296 177.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -48.88 -46.97 43.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.351 0.596 . . . . 0.0 110.807 172.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.4 m -66.88 -41.66 86.89 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.031 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 93' ' ' THR . 38.2 mt -66.91 -43.23 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.998 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HG ' HG21 ' A' ' 121' ' ' THR . 70.6 mt -54.91 -51.8 64.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.836 175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.26 99.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.233 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.7 t -63.94 -22.12 66.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.445 0.64 . . . . 0.0 110.341 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.19 -48.14 5.5 Favored Glycine 0 N--CA 1.442 -0.933 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.585 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' O ' HG22 ' A' ' 105' ' ' ILE . 79.0 t80 -67.25 -36.16 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -175.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -48.05 -27.37 2.24 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.88 -30.62 66.6 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.987 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 102' ' ' PHE . 10.1 tp -59.5 -23.7 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.891 0.377 . . . . 0.0 111.701 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -79.28 -13.99 59.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.123 0.487 . . . . 0.0 110.751 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' ' 108' ' ' GLN . 66.8 t30 -102.7 44.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 107' ' ' ASN . 0.0 OUTLIER 42.72 41.52 2.49 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.813 0.845 . . . . 0.0 112.215 -177.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -83.53 162.58 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.725 179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -82.98 146.93 28.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.703 178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.453 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 18.9 m -77.18 -30.52 54.89 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.178 -172.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -69.11 -42.27 76.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.752 0.786 . . . . 0.0 108.884 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 54.4 m -59.2 -52.03 67.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.68 -1.145 . . . . 0.0 111.121 176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 28.2 m -67.63 -31.01 70.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 -178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 69' ' ' GLU . 3.0 tt -55.77 -43.36 76.68 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.031 0.443 . . . . 0.0 109.89 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.575 ' HA ' ' HG2' ' A' ' 119' ' ' LYS . 22.0 m-80 -62.23 -36.98 83.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.459 -177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 117' ' ' LYS . 44.4 mtpt -64.38 -39.01 93.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.965 0.412 . . . . 0.0 110.55 176.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.1 -30.5 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.214 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.575 ' HG2' ' HA ' ' A' ' 116' ' ' ASN . 14.8 ptpt -80.87 -26.72 36.72 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.298 179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -100.28 13.7 33.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.515 HG23 ' CG2' ' A' ' 97' ' ' ILE . 62.0 m -62.2 -60.07 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.795 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.246 0.91 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -178.009 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.972 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.25 82.13 6.36 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -164.11 134.61 4.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.059 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.99 86.93 0.77 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 174.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -44.55 102.78 0.3 Allowed Pre-proline 0 N--CA 1.464 0.235 0 C-N-CA 123.569 0.748 . . . . 0.0 112.531 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.603 ' HB2' ' NE2' ' A' ' 59' ' ' GLN . 98.9 Cg_endo -85.29 -21.04 3.11 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 122.774 2.316 . . . . 0.0 112.743 -175.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 7' ' ' LEU . 2.5 pt? -65.5 -42.69 91.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.253 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.6 mm-40 -65.45 -7.18 12.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.148 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -86.92 -35.74 18.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.78 0.324 . . . . 0.0 110.422 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 2.8 pp -100.75 -24.87 14.31 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.831 -177.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG13 HD12 ' A' ' 16' ' ' LEU . 13.9 t -47.91 -31.21 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 123.592 0.557 . . . . 0.0 110.94 175.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -60.54 -30.3 69.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.663 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 4.7 ptp180 -79.88 -14.98 58.25 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 122.261 -0.275 . . . . 0.0 111.038 -175.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.865 ' HG ' HD12 ' A' ' 70' ' ' ILE . 2.4 mm? -86.3 -7.75 58.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.738 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.4 m120 57.63 56.08 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.429 175.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.729 HD12 HG13 ' A' ' 11' ' ' VAL . 49.7 mt -91.79 146.8 23.47 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.08 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -110.84 -172.36 2.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.228 -176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 10.5 p30 -53.81 -28.21 33.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.081 0.467 . . . . 0.0 111.04 -178.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -71.32 -50.01 36.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.388 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 5.4 mp0 -71.57 -45.19 62.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.78 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 21' ' ' LYS . 19.7 mtpt -68.61 -27.67 66.24 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.175 -175.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 18' ' ' ASN . 0.8 OUTLIER -58.26 -51.04 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.544 0.688 . . . . 0.0 109.452 170.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 77' ' ' ILE . 26.8 m -64.52 -40.26 95.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.457 179.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.52 -40.82 97.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.586 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.2 m -64.24 -45.1 89.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.831 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CG ' ' HD2' ' A' ' 81' ' ' LYS . 73.6 t80 -56.08 -51.3 68.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.179 178.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.4 tp -60.71 -54.43 45.35 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.98 -177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.3 m -59.25 -33.54 71.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.933 0.397 . . . . 0.0 111.374 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.02 -48.1 54.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -66.44 -29.2 69.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -177.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 95.1 mt -63.02 -37.76 88.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.338 178.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.18 -13.85 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.019 0.438 . . . . 0.0 110.814 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -94.71 -34.38 12.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.314 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.561 ' HB3' HG21 ' A' ' 40' ' ' ILE . 74.1 mmtt -102.83 -42.05 5.98 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 31' ' ' LEU . 79.0 mt -67.79 -17.84 64.66 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -173.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.6 m -69.99 -9.43 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.994 0.426 . . . . 0.0 110.957 177.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -92.48 129.14 41.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.52 -11.73 27.47 Favored 'Trans proline' 0 CA--C 1.529 0.255 0 C-N-CA 122.939 2.426 . . . . 0.0 113.323 -177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -94.96 -14.11 24.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.964 0.411 . . . . 0.0 110.327 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' HB3' ' A' ' 34' ' ' LYS . 26.1 mt -111.12 -45.71 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.325 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.44 62.32 0.55 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.91 -42.45 97.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' ND1' ' HB2' ' A' ' 107' ' ' ASN . 95.2 m-70 -80.95 -36.8 30.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.856 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' CE2' HG13 ' A' ' 54' ' ' ILE . 77.3 t80 -57.18 -53.47 57.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.092 178.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -64.47 -31.05 72.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.425 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -92.71 0.75 57.47 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.711 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.6 t -99.32 -31.89 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.103 0.478 . . . . 0.0 109.844 175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.01 -44.8 0.13 Allowed Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.559 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 51.57 6.32 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.894 178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -139.12 151.53 46.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 117.011 0.405 . . . . 0.0 110.124 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -57.45 -38.57 74.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 123.436 0.46 . . . . 0.0 111.447 -178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 34.6 p -57.2 -32.47 66.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.46 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 51.7 mmtt -71.66 -29.46 64.65 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.342 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.48 ' O ' HG23 ' A' ' 58' ' ' VAL . 85.8 mt -71.59 -46.27 63.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.586 0.708 . . . . 0.0 109.196 173.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -70.56 -21.11 62.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.25 -175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 52' ' ' SER . 41.3 mt-10 -81.94 -44.76 16.33 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.82 171.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.1 m -62.12 -39.83 93.86 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 54' ' ' ILE . 65.3 t -57.52 -39.89 71.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 0.0 109.968 176.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.603 ' NE2' ' HB2' ' A' ' 6' ' ' PRO . 44.2 tt0 -65.77 -51.77 56.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.592 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 56' ' ' GLU . 55.2 mtpt -60.58 -39.5 88.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 -177.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE2' ' HB ' ' A' ' 114' ' ' THR . 16.5 t80 -58.21 -53.55 57.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.76 178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt -80.3 -14.67 58.2 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.601 -174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.3 t -64.89 -35.88 82.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.944 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -93.51 -6.97 45.6 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.0 0.429 . . . . 0.0 111.229 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.431 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.6 mt -87.96 152.48 22.02 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.253 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -91.58 160.08 15.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.489 175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.622 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.6 mp0 -52.96 -44.35 67.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.1 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.5 -30.28 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.796 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.22 -46.78 39.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.865 HD12 ' HG ' ' A' ' 14' ' ' LEU . 65.8 mt -66.84 -43.11 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.211 -177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 14.5 mmmm -50.97 -49.37 60.29 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.227 0.537 . . . . 0.0 110.563 173.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.56 -28.75 65.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.451 -175.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 118' ' ' LEU . 60.3 tp -73.11 -56.73 4.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 77' ' ' ILE . 93.3 mt -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.689 -176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.96 78.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.864 0.364 . . . . 0.0 110.739 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -55.17 -55.75 27.7 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' HB ' HG21 ' A' ' 23' ' ' THR . 23.6 mt -61.7 -37.83 78.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.957 -175.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.03 -57.93 10.88 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.344 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.65 -45.31 90.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.28 -175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -57.17 -43.48 82.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.98 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 32.0 tttm -59.17 -57.01 14.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.493 0.663 . . . . 0.0 110.81 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -10.1 59.37 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.142 -172.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -100.46 -16.18 17.65 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.299 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HE3' HG13 ' A' ' 122' ' ' ILE . 61.9 mttm -102.2 -20.2 14.78 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 1.3 pp20? -56.04 -18.56 9.91 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -176.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -54.91 -39.46 68.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.757 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 29.4 t70 -106.21 120.9 47.25 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.61 -52.3 9.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 123.369 2.713 . . . . 0.0 112.962 -177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.89 -32.78 45.96 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -61.63 -45.82 92.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.0 109.507 176.746 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -64.79 -48.18 75.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.487 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -59.65 -35.73 75.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.636 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 97' ' ' ILE . 63.7 m -67.69 -37.55 82.46 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 178.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' A' ' 98' ' ' LEU . 31.0 t80 -56.91 -49.53 75.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 96.5 mttt -48.65 -45.13 38.22 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.068 172.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -65.64 -44.21 87.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.722 -174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 93' ' ' THR . 36.0 mt -66.17 -44.85 91.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.124 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 ' CE1' ' A' ' 94' ' ' TYR . 81.2 mt -55.08 -50.19 69.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.045 176.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.69 -42.62 97.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.291 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.2 t -65.74 -24.16 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.978 0.418 . . . . 0.0 110.452 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.19 -38.8 9.71 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.831 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.563 ' O ' HG22 ' A' ' 105' ' ' ILE . 84.8 t80 -70.53 -33.83 71.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.576 0.188 . . . . 0.0 110.715 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -46.98 -29.14 1.91 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.439 0.696 . . . . 0.0 112.353 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.53 -30.01 58.31 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.078 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.563 HG22 ' O ' ' A' ' 102' ' ' PHE . 9.3 tp -59.22 -31.92 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 111.117 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -70.4 -17.07 63.02 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.197 0.522 . . . . 0.0 110.74 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 7.2 t30 -96.82 24.09 6.46 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.678 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 67.4 27.25 8.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.829 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.33 157.44 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.229 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.08 148.29 42.0 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.635 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' LEU . 14.1 m -82.9 -28.75 29.75 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.067 -173.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -36.5 65.02 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 89.0 m -64.04 -46.24 85.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.489 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.5 m -73.94 -25.73 60.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.729 178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' SER . 4.6 tt -56.18 -46.13 79.47 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -65.19 -31.95 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.159 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -64.04 -48.53 75.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.152 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 73' ' ' LEU . 91.9 mt -66.0 -32.85 74.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.022 0.439 . . . . 0.0 110.684 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -68.52 -47.08 67.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.819 175.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.68 17.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.51 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.485 HG23 ' CG2' ' A' ' 97' ' ' ILE . 43.4 m -71.7 -69.11 0.41 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.692 HG13 ' HE3' ' A' ' 84' ' ' LYS . 17.2 mm . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.442 -0.79 . . . . 0.0 110.01 170.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.46 63.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.266 0.555 . . . . 0.0 110.204 177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.1 tpt -132.89 127.57 34.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.88 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.65 102.8 0.86 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 174.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -52.77 109.0 1.23 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.192 0.52 . . . . 0.0 112.064 -174.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.44 -27.7 33.28 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.742 2.295 . . . . 0.0 111.746 -176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? -70.64 -42.76 70.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.571 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 6.8 mm-40 -62.94 -14.99 53.91 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -82.13 -15.76 52.23 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.078 0.466 . . . . 0.0 110.592 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 11' ' ' VAL . 3.9 pp -121.06 -27.38 4.95 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.204 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.629 ' HA ' HD23 ' A' ' 14' ' ' LEU . 18.6 t -51.55 -29.91 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.051 0.453 . . . . 0.0 111.112 176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 p -60.34 -30.46 69.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.508 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.56 ' HG3' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -80.82 -11.04 59.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 111.143 -176.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' A' ' 11' ' ' VAL . 2.4 mm? -87.33 -12.72 45.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.671 175.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 60.41 74.85 0.43 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.6 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.405 HD23 ' HD2' ' A' ' 71' ' ' LYS . 50.3 mt -105.02 152.57 22.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 178.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -94.45 173.54 7.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.423 177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -58.64 -33.01 69.59 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.03 0.443 . . . . 0.0 110.932 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -70.69 -37.24 73.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.4 0.619 . . . . 0.0 110.57 -176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -75.07 -38.72 61.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.405 177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -70.62 -28.14 64.6 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.32 -48.05 74.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 169.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 77' ' ' ILE . 34.5 m -65.73 -40.17 91.9 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.363 177.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -46.25 89.99 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.5 m -61.68 -44.49 96.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.996 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.54 -50.66 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.015 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -60.25 -54.94 39.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.527 -178.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -59.52 -32.78 70.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -72.45 -43.5 63.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.48 178.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.3 pp -70.35 -25.41 63.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.797 0.332 . . . . 0.0 110.579 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 87.9 mt -69.65 -40.92 76.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HG2' HD12 ' A' ' 54' ' ' ILE . 93.4 mttt -75.86 -1.98 27.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.322 176.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.46 ' OE1' ' HD3' ' A' ' 95' ' ' LYS . 24.3 tt0 -102.69 -50.71 3.48 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.246 -176.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HB3' HG21 ' A' ' 40' ' ' ILE . 40.9 mmtm -93.16 -37.95 11.83 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 76.0 mt -67.84 -16.38 64.07 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -73.19 -3.91 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.839 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -95.51 131.34 29.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.565 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -65.25 -10.3 25.33 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.695 2.263 . . . . 0.0 113.39 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -94.57 -15.95 23.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.409 . . . . 0.0 110.349 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 34' ' ' LYS . 25.7 mt -111.0 -44.73 5.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.59 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.21 62.56 0.56 Allowed Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.73 -44.24 93.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.348 0.594 . . . . 0.0 109.49 -177.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.0 m-70 -85.16 -37.96 19.57 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.795 -178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CE2' HG13 ' A' ' 54' ' ' ILE . 78.3 t80 -55.01 -52.58 62.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.883 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -59.51 -43.4 93.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.928 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -76.57 -23.11 53.52 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.059 -172.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 p -84.06 -36.36 23.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.89 0.376 . . . . 0.0 110.968 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.29 -41.29 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.499 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.411 ' HA2' ' CE1' ' A' ' 44' ' ' PHE . . . 67.33 48.39 58.45 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.585 -0.817 . . . . 0.0 111.891 -177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.535 ' HB3' ' HG2' ' A' ' 53' ' ' LYS . 17.8 t70 -132.79 149.58 52.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.26 -39.19 78.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.783 -177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.9 p -65.95 -28.38 68.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 110.792 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.905 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 10.1 mmpt? -62.75 -33.36 75.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.341 0.591 . . . . 0.0 110.328 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.524 HD12 ' HG2' ' A' ' 32' ' ' LYS . 99.1 mt -70.47 -52.19 31.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.858 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.86 -36.0 78.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.13 -178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.79 -41.65 82.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.9 m -68.47 -43.57 76.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 54' ' ' ILE . 97.0 t -58.81 -40.49 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 120.866 0.365 . . . . 0.0 110.264 176.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' HG3' HD21 ' A' ' 10' ' ' LEU . 56.3 tt0 -60.05 -51.51 69.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.744 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -66.59 -41.46 88.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.912 0.387 . . . . 0.0 110.306 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.54 ' CE1' HD11 ' A' ' 65' ' ' LEU . 12.3 t80 -50.76 -56.12 13.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.708 -179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' O ' HD11 ' A' ' 70' ' ' ILE . 55.3 mt -72.64 -26.83 61.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.411 -175.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -73.0 -20.09 61.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.038 0.447 . . . . 0.0 110.908 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.33 2.21 56.65 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 61' ' ' PHE . 81.2 mt -105.28 176.88 5.02 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.126 0.489 . . . . 0.0 111.358 -176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.526 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 5.0 mptp? -88.23 147.89 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.449 172.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' HG3' HD12 ' A' ' 14' ' ' LEU . 37.4 tt0 -57.02 -35.3 69.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.36 0.6 . . . . 0.0 109.953 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.16 -35.66 78.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.379 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 39.1 mt-10 -76.15 -33.56 59.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.504 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.511 ' CD1' ' HG ' ' A' ' 14' ' ' LEU . 84.1 mt -62.24 -43.46 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.315 175.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 31.8 mmmt -57.24 -53.14 61.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.919 172.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.78 -46.56 71.06 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.899 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.565 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -58.14 -60.84 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 -177.56 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.23 -35.12 80.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.61 -176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.53 -34.63 77.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.581 178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -73.74 -52.32 13.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.487 177.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.565 HD11 HD22 ' A' ' 73' ' ' LEU . 47.3 mt -57.65 -38.3 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.578 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.865 ' HD2' ' HG3' ' A' ' 79' ' ' GLU . 4.9 tmmt? -52.04 -51.49 57.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.997 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.865 ' HG3' ' HD2' ' A' ' 78' ' ' LYS . 32.2 mt-10 -83.14 -26.44 30.95 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.687 -174.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -65.34 -43.55 90.52 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 171.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 tttm -57.5 -53.43 58.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.819 173.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -52.71 -45.72 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.18 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -80.97 -21.08 40.65 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -96.96 -25.86 15.24 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.957 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 24.7 pt-20 -68.04 -8.29 36.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.482 0.658 . . . . 0.0 110.082 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HB3' ' HZ3' ' A' ' 86' ' ' LYS . 4.2 ttpm? -55.21 -32.86 62.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.108 167.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 11.8 t70 -127.46 117.6 21.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.388 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.85 -38.68 38.61 Favored 'Trans proline' 0 CA--C 1.526 0.079 0 C-N-CA 123.047 2.498 . . . . 0.0 113.021 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -85.83 -33.17 21.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -175.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 36.3 mt-10 -61.47 -48.76 79.66 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.421 173.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.529 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.1 tm? -61.83 -48.34 81.02 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.773 178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -54.0 -48.47 70.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.886 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 97' ' ' ILE . 35.5 m -66.98 -36.82 83.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.693 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.419 ' CE2' HD11 ' A' ' 98' ' ' LEU . 38.5 t80 -55.86 -47.23 77.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.286 177.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HD3' ' OE1' ' A' ' 33' ' ' GLU . 77.2 mttt -51.37 -44.52 62.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.304 173.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.4 t -66.73 -42.38 86.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.315 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 93' ' ' THR . 37.9 mt -65.86 -43.22 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.329 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' A' ' 94' ' ' TYR . 78.5 mt -55.04 -52.06 64.35 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.899 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.68 96.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.289 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.3 t -68.56 -11.29 59.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.413 . . . . 0.0 110.865 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.75 -38.86 5.11 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 173.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.535 ' O ' HG22 ' A' ' 105' ' ' ILE . 86.8 t80 -72.79 -34.2 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.299 0.095 . . . . 0.0 111.206 -178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -46.23 -29.49 1.62 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.89 60.08 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.866 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 102' ' ' PHE . 7.5 tp -58.44 -28.21 35.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 120.985 0.421 . . . . 0.0 111.291 -177.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -76.03 -8.87 57.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.398 0.618 . . . . 0.0 110.731 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 23.3 t30 -111.75 26.44 10.62 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 175.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 62.03 28.59 17.31 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.446 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 136.25 51.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.652 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 145.92 32.21 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.955 0.884 . . . . 0.0 111.867 -179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 50.2 m -77.63 -27.2 51.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.12 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -67.0 -44.21 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.414 0.626 . . . . 0.0 109.325 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 83.6 m -58.74 -50.36 74.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.576 177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.465 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 19.2 m -64.65 -36.82 85.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.16 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.42 HD12 HD22 ' A' ' 65' ' ' LEU . 5.9 tt -53.54 -49.9 66.64 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.511 176.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -58.29 -38.48 77.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.04 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -74.81 -31.06 61.61 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.511 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 73' ' ' LEU . 95.0 mt -73.34 -38.52 65.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.274 0.559 . . . . 0.0 110.385 177.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -62.66 -37.1 85.08 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.665 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -113.4 35.33 4.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.198 -173.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 44.6 m -69.53 -63.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.19 -0.318 . . . . 0.0 111.62 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.034 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.136 -0.386 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.18 101.48 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.716 ' HG2' ' HD3' ' A' ' 6' ' ' PRO . 39.5 ttm -103.52 -38.59 7.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.095 0.474 . . . . 0.0 111.036 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.41 31.1 52.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.602 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p 41.12 88.76 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.639 0 C-N-CA 123.498 0.719 . . . . 0.0 112.83 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.94 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 86.1 Cg_endo -75.15 -0.73 10.37 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.552 2.168 . . . . 0.0 113.413 -170.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' O ' HG23 ' A' ' 11' ' ' VAL . 7.4 mp -71.58 -64.94 0.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.113 0.483 . . . . 0.0 109.894 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.74 8.46 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.522 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.94 ' HD3' ' HA ' ' A' ' 6' ' ' PRO . 28.4 mtpp -82.6 -29.58 30.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 171.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.771 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.0 pp -106.53 -31.09 8.67 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.616 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.868 HG12 HD11 ' A' ' 16' ' ' LEU . 73.4 t -52.97 -28.9 14.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.739 0.304 . . . . 0.0 111.583 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.5 m -71.66 -24.63 61.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.771 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -77.55 -12.27 59.95 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.209 0.528 . . . . 0.0 110.307 -179.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 11' ' ' VAL . 3.2 mm? -79.86 -14.39 58.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.34 103.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.926 0.766 . . . . 0.0 109.995 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.868 HD11 HG12 ' A' ' 11' ' ' VAL . 18.5 mt -109.04 156.8 19.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.736 0.779 . . . . 0.0 112.801 -166.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.509 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 9.0 p30 -127.44 -177.99 4.29 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.384 -1.28 . . . . 0.0 107.771 172.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -57.0 -35.03 68.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.163 0.506 . . . . 0.0 110.823 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.763 HG23 ' HG3' ' A' ' 78' ' ' LYS . 58.1 m -75.26 -23.77 57.51 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.335 -173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HG3' ' HA ' ' A' ' 16' ' ' LEU . 22.8 mm-40 -69.0 -66.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.376 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CG ' HD13 ' A' ' 16' ' ' LEU . 40.4 mtpt -73.08 -28.27 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -171.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -61.8 -50.25 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.043 0.449 . . . . 0.0 110.157 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.5 m -67.35 -40.65 85.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.028 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 62' ' ' LEU . 3.3 mt -61.28 -42.15 98.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.755 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.4 m -65.48 -46.49 79.57 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -55.27 -47.67 75.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 46.9 tp -62.31 -54.51 39.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.648 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.3 m -58.49 -34.81 71.33 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.88 0.371 . . . . 0.0 111.188 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -45.1 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.206 178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.2 pp -67.73 -28.33 67.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.059 0.457 . . . . 0.0 110.362 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.9 mt -68.69 -42.11 78.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.934 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HG2' HD12 ' A' ' 54' ' ' ILE . 88.7 mttt -78.66 5.7 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.058 0.456 . . . . 0.0 110.738 175.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -107.06 -47.34 3.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.332 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' HB3' HG21 ' A' ' 40' ' ' ILE . 41.2 mmtm -102.03 -29.85 11.53 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -174.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 31' ' ' LEU . 65.5 mt -69.97 -12.34 61.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.853 -0.529 . . . . 0.0 111.811 -175.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 m -78.88 1.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.108 0.48 . . . . 0.0 110.693 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.23 135.36 21.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -11.15 30.27 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.516 2.144 . . . . 0.0 113.472 -174.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -92.31 -26.97 17.87 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 34' ' ' LYS . 24.3 mt -96.04 -49.91 11.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.339 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.1 56.86 1.25 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.7 -43.04 99.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 109.794 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 107' ' ' ASN . 91.5 m-70 -81.45 -38.19 26.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.415 ' CE2' HG13 ' A' ' 54' ' ' ILE . 72.0 t80 -57.63 -56.32 23.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.36 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.39 -36.96 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.344 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -83.61 -15.56 48.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.762 -175.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -85.32 -24.98 27.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.032 0.444 . . . . 0.0 110.293 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.65 -34.29 0.27 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.794 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.49 51.36 56.76 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 121.239 -0.505 . . . . 0.0 113.145 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -128.69 146.72 50.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.861 0.33 . . . . 0.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -53.4 -44.73 68.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.206 -178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 m -67.8 -24.6 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -173.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 57.6 mmtt -71.77 -22.34 61.6 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.64 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.457 HD12 ' HG2' ' A' ' 32' ' ' LYS . 86.0 mt -75.13 -47.7 34.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 173.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.02 -38.32 90.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.109 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.96 -38.87 92.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.342 175.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -71.24 -42.66 68.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.365 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 54' ' ' ILE . 83.9 t -57.94 -43.91 85.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.005 0.431 . . . . 0.0 110.32 177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HB2' ' HG ' ' A' ' 7' ' ' LEU . 33.7 tt0 -62.1 -55.31 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.458 178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -54.69 -44.96 73.86 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.543 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.453 ' CE1' HD11 ' A' ' 65' ' ' LEU . 13.2 t80 -53.99 -57.22 11.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.756 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.459 HD11 HD21 ' A' ' 24' ' ' LEU . 35.8 mt -75.72 -23.34 56.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.421 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.9 t -65.42 -32.7 74.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -93.44 12.78 23.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.536 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD22 HD12 ' A' ' 115' ' ' LEU . 78.0 mt -111.85 177.84 4.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.959 0.409 . . . . 0.0 110.757 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . 52.2 mttp -91.46 166.51 12.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.112 173.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 14' ' ' LEU . 2.9 tm-20 -65.34 -37.04 85.87 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.433 176.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -70.59 -37.13 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.674 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.522 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 49.3 mt-10 -64.2 -38.74 92.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.026 0.441 . . . . 0.0 110.624 -178.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -43.3 97.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.508 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 67' ' ' GLU . 13.0 mptt -57.53 -54.41 47.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.991 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -56.38 -43.53 79.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD22 HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -64.42 -58.02 7.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.05 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.94 -28.95 70.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.866 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.4 -47.43 82.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.271 0.558 . . . . 0.0 110.157 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -61.26 -51.99 66.63 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.451 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.528 HD11 HD22 ' A' ' 73' ' ' LEU . 59.2 mt -54.82 -45.41 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.496 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.763 ' HG3' HG23 ' A' ' 19' ' ' THR . 0.5 OUTLIER -60.36 -57.93 10.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.109 0.48 . . . . 0.0 110.457 178.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' OE2' ' HA ' ' A' ' 79' ' ' GLU . 3.4 tp10 -61.83 -42.69 99.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.954 -173.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.482 ' HA ' ' HG2' ' A' ' 83' ' ' LYS . 62.4 m-80 -66.22 -40.29 90.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.508 . . . . 0.0 110.288 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 tttm -55.65 -54.72 40.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 110.189 174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.455 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 1.1 m-20 -71.89 -9.22 58.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.935 -1.03 . . . . 0.0 113.329 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.482 ' HG2' ' HA ' ' A' ' 80' ' ' ASN . 21.3 ptmt -96.1 -24.98 16.05 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.589 172.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -93.84 -21.27 19.37 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.348 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -56.33 -19.81 16.14 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 178.32 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -67.01 -20.18 65.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.425 0.631 . . . . 0.0 109.879 177.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 10.2 t70 -121.55 113.93 31.79 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 0.0 108.882 177.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.19 -39.62 61.42 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.729 2.286 . . . . 0.0 112.698 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -78.78 -42.22 28.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.291 -175.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 8.0 mm-40 -60.59 -46.92 88.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.798 0.333 . . . . 0.0 110.753 177.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 3.3 tm? -59.74 -49.39 77.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.051 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -60.82 -40.78 94.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.227 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 97' ' ' ILE . 42.2 m -69.03 -35.75 76.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.7 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -55.7 -52.49 63.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.551 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 30' ' ' LEU . 91.5 mttt -47.62 -47.22 29.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.551 173.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.7 m -65.19 -39.9 93.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.892 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 93' ' ' THR . 66.4 mt -63.5 -55.8 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.358 178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -42.77 64.48 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.363 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.25 93.28 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 121.143 -0.223 . . . . 0.0 111.076 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.4 m -63.53 -27.82 69.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.076 0.465 . . . . 0.0 110.368 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -81.96 -41.39 9.61 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.707 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.618 ' O ' HG22 ' A' ' 105' ' ' ILE . 69.0 t80 -69.61 -36.58 76.33 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 36.6 t70 -49.63 -26.99 4.09 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.94 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.98 -28.45 60.9 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.869 177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 102' ' ' PHE . 12.0 tt -65.7 -29.05 45.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 99.6 m-85 -71.64 -14.5 62.07 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.216 0.531 . . . . 0.0 110.157 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 10.1 t30 -96.28 15.77 20.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.498 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 69.42 49.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.743 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.6 153.26 17.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.936 173.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.0 152.07 35.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.157 0.504 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -67.15 -33.55 75.66 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.332 -175.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 tppt? -68.47 -43.36 77.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.02 0.438 . . . . 0.0 110.209 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.5 m -65.05 -34.64 78.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 12.0 m -81.48 -30.06 33.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.808 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 65' ' ' LEU . 3.0 tt -54.82 -51.24 66.45 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.372 0.606 . . . . 0.0 109.797 176.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -63.52 -24.53 67.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.121 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -67.59 -47.86 68.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.01 0.433 . . . . 0.0 110.79 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.507 ' HB2' HD21 ' A' ' 73' ' ' LEU . 65.2 mt -66.69 -34.41 77.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -72.13 -36.57 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.171 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -88.19 18.37 4.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.103 -172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.441 HG23 HG21 ' A' ' 97' ' ' ILE . 29.5 m -77.64 -77.3 0.16 Allowed 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.841 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.481 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 34.6 mt . . . . . 0 C--O 1.253 1.24 0 O-C-N 123.762 0.664 . . . . 0.0 112.002 175.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.79 94.26 9.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.047 0.451 . . . . 0.0 111.066 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.476 ' HG3' ' H ' ' A' ' 5' ' ' THR . 10.3 ptp -119.52 -25.85 5.91 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.049 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.94 25.25 72.05 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.171 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 35.7 p 46.73 78.53 0.39 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.156 0.582 . . . . 0.0 111.593 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' HG2' HD22 ' A' ' 7' ' ' LEU . 16.9 Cg_endo -56.9 -32.88 93.72 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.991 2.46 . . . . 0.0 112.855 -173.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.8 mm? -69.36 -49.92 51.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.275 0.559 . . . . 0.0 110.006 178.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 11' ' ' VAL . 22.9 mm-40 -69.22 -6.37 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.058 -173.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 5' ' ' THR . 9.1 mtpm? -75.42 -27.84 59.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.13 0.49 . . . . 0.0 110.168 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.762 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 3.5 pp -112.87 -26.0 8.75 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.591 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.854 HG13 HD12 ' A' ' 16' ' ' LEU . 54.8 t -56.13 -33.62 37.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 176.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.7 m -66.14 -39.33 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.724 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.762 ' HG3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -80.99 -15.5 56.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -176.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.9 -14.66 44.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.883 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 59.58 66.84 0.95 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.66 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.854 HD12 HG13 ' A' ' 11' ' ' VAL . 60.2 mt -102.65 148.55 25.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.098 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.7 p30 -106.95 179.72 4.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.377 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.46 -36.69 64.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.184 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 m -66.87 -45.78 77.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.381 0.61 . . . . 0.0 110.025 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG2' ' OD1' ' A' ' 17' ' ' ASN . 7.1 mm-40 -63.52 -50.81 68.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.793 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -73.31 -23.53 60.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.124 -172.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -71.0 -42.16 69.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.291 174.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' O ' ' A' ' 74' ' ' LEU . 40.7 m -65.6 -37.36 86.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.018 0.437 . . . . 0.0 110.136 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.17 -42.5 99.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.774 175.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -59.16 -46.72 87.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -54.34 -46.06 72.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.616 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 9.0 tt -59.91 -62.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.61 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.9 m -52.3 -38.64 59.0 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -78.01 -23.3 48.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 1.9 pp -73.03 -39.51 65.9 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.553 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.5 mm? -59.37 -44.29 92.76 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-O 120.751 0.31 . . . . 0.0 111.4 172.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -68.17 -9.86 49.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.403 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -99.71 -44.54 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.881 0.372 . . . . 0.0 110.512 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 40' ' ' ILE . 72.2 mmtt -94.12 -36.07 12.24 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -172.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HD12 ' A' ' 31' ' ' LEU . 48.6 mt -69.71 -14.88 63.02 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -173.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.37 -8.64 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.365 0.602 . . . . 0.0 110.326 177.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.42 129.12 44.23 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -67.47 -9.27 24.76 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.87 2.38 . . . . 0.0 113.223 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -94.43 -18.95 21.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.049 0.452 . . . . 0.0 110.02 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' HB3' ' A' ' 34' ' ' LYS . 20.7 mt -105.94 -47.17 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.343 -178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.79 57.81 2.55 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.15 -44.49 97.23 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.173 0.511 . . . . 0.0 109.716 -176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -87.62 -33.21 18.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.006 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.482 ' CE2' HG13 ' A' ' 54' ' ' ILE . 73.2 t80 -58.18 -52.64 64.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.043 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -65.93 -34.44 78.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -93.41 7.5 44.25 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -173.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -152.43 19.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.819 0.342 . . . . 0.0 111.278 177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.51 -84.77 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.729 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.37 18.56 79.88 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.266 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -124.94 139.98 53.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.35 -38.02 68.23 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.765 174.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 4.1 m -56.95 -42.52 80.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.141 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 36.2 mmtm -66.12 -26.45 67.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.227 -177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 HG13 ' CE2' ' A' ' 44' ' ' PHE . 85.7 mt -67.63 -52.36 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.245 0.545 . . . . 0.0 109.74 175.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.76 -31.22 69.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.877 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 52' ' ' SER . 44.0 mt-10 -64.27 -39.18 93.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.316 173.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -70.09 -43.75 70.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 91.9 t -58.87 -40.08 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.962 0.41 . . . . 0.0 110.153 174.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -64.06 -45.53 88.38 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.503 179.799 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.24 -37.89 84.28 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.961 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.624 ' HA ' ' OG ' ' A' ' 111' ' ' SER . 26.0 t80 -56.51 -55.0 39.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.794 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 58' ' ' VAL . 47.0 mt -71.71 -18.71 62.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.886 -174.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.2 m -77.57 -25.57 50.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -91.96 -3.19 56.22 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.845 0.355 . . . . 0.0 111.283 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD11 ' CE1' ' A' ' 61' ' ' PHE . 87.7 mt -105.4 171.15 7.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.983 0.42 . . . . 0.0 111.523 -176.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.523 ' N ' ' HE2' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -92.62 155.67 17.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.804 174.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -57.75 -38.88 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 0.0 110.856 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.87 -36.88 85.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.069 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' HG3' ' HB2' ' A' ' 66' ' ' LYS . 53.7 mt-10 -70.53 -40.3 73.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.362 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 77.5 mt -65.5 -44.8 94.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.19 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -52.16 -48.12 65.11 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.824 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -70.59 -40.24 73.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.72 -178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.658 ' HG ' ' CD1' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -56.86 -57.67 11.46 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.816 -178.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.544 ' O ' HG21 ' A' ' 23' ' ' THR . 94.2 mt -61.6 -41.63 97.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.184 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.57 -44.85 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -60.5 -49.27 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 73' ' ' LEU . 66.0 mt -56.57 -46.0 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -59.23 -54.9 41.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.981 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.85 -28.5 70.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.177 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.662 ' OD1' ' HA ' ' A' ' 122' ' ' ILE . 51.5 m-80 -80.17 -38.54 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.008 0.432 . . . . 0.0 110.263 175.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -56.79 -55.26 36.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.248 174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.01 -23.7 63.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.819 -174.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 83' ' ' LYS . 20.7 ptmt -93.39 -29.26 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.522 178.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -92.16 -18.2 23.84 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 10.6 pt-20 -70.31 -5.68 29.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.162 0.506 . . . . 0.0 110.956 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -70.58 -34.05 71.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.878 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 0.7 OUTLIER -114.45 119.52 39.82 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.764 -175.388 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -51.26 -44.88 40.35 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 123.031 2.488 . . . . 0.0 113.079 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -75.38 -32.13 60.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.304 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 9.9 mm-40 -63.73 -52.23 61.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.739 0.304 . . . . 0.0 110.581 177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' HB2' ' HA ' ' A' ' 85' ' ' GLU . 50.8 tp -63.56 -43.26 97.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.98 -50.11 74.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.93 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 97' ' ' ILE . 24.1 m -66.9 -37.11 83.75 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.462 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' OH ' ' HA ' ' A' ' 77' ' ' ILE . 47.2 t80 -57.49 -54.02 51.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.593 178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -56.37 -38.69 71.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.432 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.7 t -67.42 -40.4 85.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.826 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 93' ' ' THR . 88.5 mt -63.73 -54.09 36.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.531 179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.9 mp -53.07 -39.3 63.2 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 175.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . . . -70.85 -48.83 51.78 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.348 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.1 t -65.49 -23.25 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.388 0.613 . . . . 0.0 109.657 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -83.53 -40.43 9.0 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.865 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' O ' HG22 ' A' ' 105' ' ' ILE . 72.7 t80 -69.89 -39.43 76.26 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.444 ' HA ' ' HD2' ' A' ' 106' ' ' PHE . 21.2 t70 -46.58 -30.06 2.1 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.584 179.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -55.7 -29.29 54.06 Favored Glycine 0 CA--C 1.521 0.464 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.07 178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 102' ' ' PHE . 16.9 tt -66.21 -25.15 34.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 111.428 -177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.444 ' HD2' ' HA ' ' A' ' 103' ' ' ASP . 97.5 m-85 -73.04 -12.18 60.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.193 0.52 . . . . 0.0 110.574 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -92.33 17.06 10.36 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 173.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 70.01 33.46 2.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 114.711 -1.131 . . . . 0.0 110.822 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -75.38 150.8 38.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.756 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -66.9 150.72 48.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.924 176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.624 ' OG ' ' HA ' ' A' ' 61' ' ' PHE . 19.5 m -79.75 -31.21 40.99 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.387 -173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tptt -69.44 -39.74 77.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 109.24 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.8 m -62.81 -49.97 72.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.992 -1.003 . . . . 0.0 110.526 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.819 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 30.5 m -65.91 -33.57 76.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.991 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.658 ' CD1' ' HG ' ' A' ' 73' ' ' LEU . 30.7 tp -56.25 -47.68 78.05 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.179 179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -57.31 -31.08 65.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.169 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 114' ' ' THR . 50.2 mtmt -71.09 -41.0 71.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.911 0.386 . . . . 0.0 110.939 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 66.4 mt -72.17 -41.67 66.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.652 0.739 . . . . 0.0 110.126 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -61.12 -43.45 98.86 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.073 177.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -94.3 26.68 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.695 -174.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 51.4 m -76.61 -81.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.783 -0.573 . . . . 0.0 110.278 178.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.662 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . 31.3 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.402 -177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.918 ' HA3' ' HB2' ' A' ' 51' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.868 -0.493 . . . . 0.0 111.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.29 93.84 2.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.957 0.408 . . . . 0.0 110.399 -176.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.511 ' HG2' ' HG3' ' A' ' 6' ' ' PRO . 3.0 tpt -159.35 165.89 32.34 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.492 ' H ' ' HE2' ' A' ' 3' ' ' MET . . . -96.13 -106.96 2.28 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.382 174.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 2.4 p -130.25 94.57 30.0 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-O 120.794 0.33 . . . . 0.0 111.109 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.686 ' HD2' HD23 ' A' ' 7' ' ' LEU . 4.8 Cg_exo -77.71 -32.7 2.62 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.647 2.232 . . . . 0.0 112.242 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.686 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -78.56 -5.64 53.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.781 -173.645 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 5' ' ' THR . 11.1 pt-20 -59.46 -22.88 62.17 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -70.19 -30.67 67.84 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.244 0.545 . . . . 0.0 110.041 -174.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.2 pp -100.59 -31.07 11.43 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.938 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.569 ' N ' HD12 ' A' ' 10' ' ' LEU . 75.1 t -58.53 -37.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.003 0.43 . . . . 0.0 110.322 176.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -66.68 -28.3 68.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.734 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 12.1 ptt180 -79.87 -23.55 41.82 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.6 mm? -67.33 -32.94 74.23 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.174 175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 53.06 68.61 0.81 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.663 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 84.7 mt -90.84 151.79 21.02 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.237 -175.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' OD1' ' HG2' ' A' ' 20' ' ' GLU . 30.3 p30 -93.42 179.69 5.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.413 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -56.97 -29.87 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.866 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.597 ' O ' ' HB3' ' A' ' 22' ' ' GLU . 60.4 m -82.86 -40.42 20.29 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.343 -176.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 13.2 mm-40 -67.23 -41.68 85.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.348 0.594 . . . . 0.0 109.832 177.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.43 -17.02 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.975 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.597 ' HB3' ' O ' ' A' ' 19' ' ' THR . 10.1 tp10 -65.76 -47.84 73.88 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 172.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.4 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.536 176.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.67 -49.52 76.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.787 0.327 . . . . 0.0 110.575 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.7 m -58.39 -42.02 86.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.347 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HG2' ' A' ' 95' ' ' LYS . 58.4 t80 -55.75 -53.4 57.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.13 177.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.74 -56.54 18.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.961 -176.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -57.79 -31.23 66.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.97 -174.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -79.51 -40.48 29.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.447 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 4.0 pp -70.8 -26.42 63.31 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.603 -178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 80.8 mt -67.41 -43.86 80.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.454 178.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -70.55 -11.44 60.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.984 176.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -99.12 -41.9 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.161 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -98.45 -33.16 11.14 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.7 mt -68.52 -17.28 64.13 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.01 -5.96 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -92.47 127.92 46.63 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -62.56 -12.33 27.62 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.0 113.326 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -89.59 -26.1 20.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.264 0.554 . . . . 0.0 109.653 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.39 -49.62 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.408 -176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.05 63.37 1.24 Allowed Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.46 -41.42 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -86.93 -36.26 18.45 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.625 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -55.25 -53.66 53.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.816 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -66.74 -39.8 88.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.907 -176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -93.82 6.38 48.58 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -170.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.5 m -137.29 -3.37 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.159 -0.338 . . . . 0.0 111.696 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.69 -78.87 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.759 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.14 25.25 55.74 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.633 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.0 t70 -135.43 147.61 49.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.958 0.408 . . . . 0.0 111.418 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.918 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 48.5 mt-10 -57.13 -40.81 77.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.8 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' OE1' ' A' ' 55' ' ' GLU . 57.7 m -74.05 -10.93 60.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.955 0.407 . . . . 0.0 110.807 -175.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.976 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 8.1 mmpt? -72.43 -29.8 64.03 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.4 mt -78.52 -43.85 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.721 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' OE1' ' HA ' ' A' ' 52' ' ' SER . 50.2 mt-10 -62.68 -25.36 68.11 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.798 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -85.46 -44.37 12.79 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.728 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.3 p -67.34 -44.82 78.11 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.9 t -55.45 -39.94 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-O 121.277 0.56 . . . . 0.0 110.076 175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' HG3' HD21 ' A' ' 10' ' ' LEU . 64.3 tt0 -66.57 -52.19 48.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.778 179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.48 -40.77 95.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.21 0.529 . . . . 0.0 110.337 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.664 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.3 t80 -52.53 -59.48 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 65' ' ' LEU . 47.4 mt -72.36 -25.87 61.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.248 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 t -68.27 -37.51 80.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.544 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -93.77 26.59 3.06 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 111.42 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 61' ' ' PHE . 80.3 mt -114.82 179.19 4.02 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.438 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' HD3' ' HB3' ' A' ' 68' ' ' ASP . 78.5 tttt -90.79 147.9 22.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 170.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 71' ' ' LYS . 1.3 tt0 -66.73 -23.52 66.11 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.489 0.661 . . . . 0.0 109.809 -178.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HB3' ' HD3' ' A' ' 66' ' ' LYS . 5.4 t70 -76.47 -41.11 48.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.315 176.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -73.4 -26.79 61.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.384 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 66' ' ' LYS . 87.1 mt -61.82 -46.32 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 174.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 67' ' ' GLU . 1.5 mmmp? -59.39 -50.15 75.07 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.078 175.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -58.6 -41.91 86.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.68 -59.0 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.062 178.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.04 -38.28 85.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.553 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.766 0.317 . . . . 0.0 110.646 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' HE3' ' HE2' ' A' ' 119' ' ' LYS . 14.4 tppt? -63.64 -50.67 68.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.777 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.5 HD11 HD22 ' A' ' 73' ' ' LEU . 52.5 mt -57.91 -47.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.404 177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -50.14 -49.49 51.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.185 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 42.5 tt0 -60.66 -37.19 80.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.966 -178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -79.9 -44.39 20.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.968 0.413 . . . . 0.0 110.289 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HD2' ' CD1' ' A' ' 26' ' ' PHE . 47.9 tttm -55.55 -52.3 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.048 177.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -52.04 -45.6 64.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.232 -0.895 . . . . 0.0 112.132 -175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 6.3 ptpp? -84.25 -11.78 55.87 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 122' ' ' ILE . 53.7 mttm -103.02 -23.8 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -178.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 91' ' ' LEU . 12.8 pt-20 -72.3 -1.73 16.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.098 0.475 . . . . 0.0 111.136 -177.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -81.45 -10.73 59.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.7 ' HB3' ' HB2' ' A' ' 90' ' ' GLU . 20.6 t70 -130.23 134.83 26.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.594 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -61.56 -33.1 87.9 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.104 2.536 . . . . 0.0 113.194 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -90.85 -46.54 8.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.87 -175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' A' ' 87' ' ' ASP . 4.1 mm-40 -56.22 -40.12 73.58 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 110.542 177.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 48.6 tp -70.2 -47.11 62.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.633 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -62.24 -45.65 92.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.42 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.587 ' O ' HG13 ' A' ' 97' ' ' ILE . 41.7 m -64.18 -42.11 96.82 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.566 ' CE2' HD11 ' A' ' 98' ' ' LEU . 57.0 t80 -58.8 -48.18 82.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.617 177.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 91' ' ' LEU . 59.4 mtpt -56.68 -38.36 72.12 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.87 176.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.4 t -66.74 -47.44 72.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.425 -179.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 93' ' ' THR . 39.6 mt -65.8 -40.03 86.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.706 -179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 94' ' ' TYR . 53.6 mt -54.16 -53.65 50.54 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 174.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.89 98.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.722 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.8 t -62.35 -24.89 67.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.753 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA2' ' HE3' ' A' ' 117' ' ' LYS . . . -83.73 -43.97 7.03 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.949 -0.644 . . . . 0.0 111.874 177.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' O ' HG22 ' A' ' 105' ' ' ILE . 91.6 t80 -66.85 -34.97 78.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.71 0.291 . . . . 0.0 110.64 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.11 -28.61 0.76 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.993 0.917 . . . . 0.0 112.806 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.51 -32.41 61.06 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.939 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' PHE . 8.0 tp -58.55 -30.26 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.204 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -74.41 -13.61 60.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 111.027 -176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.27 18.09 11.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 69.19 23.4 6.38 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.97 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.83 158.29 34.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.339 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -73.44 153.01 40.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.124 0.488 . . . . 0.0 110.316 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.5 p -69.7 -28.56 65.94 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.17 -176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 112' ' ' LYS . 1.3 tppp? -78.1 -40.98 36.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.0 110.369 -178.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -60.47 -41.89 95.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.376 0.608 . . . . 0.0 110.111 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.495 ' HB ' ' CE2' ' A' ' 61' ' ' PHE . 11.8 m -73.78 -32.29 63.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.674 179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.671 ' HG ' ' HG ' ' A' ' 73' ' ' LEU . 9.9 tt -55.58 -50.4 70.17 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.315 0.579 . . . . 0.0 110.225 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -69.15 -22.84 63.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.547 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.507 ' HE3' ' HA2' ' A' ' 101' ' ' GLY . 27.6 mtpp -70.8 -40.42 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.337 . . . . 0.0 110.539 174.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.49 ' HB2' HD21 ' A' ' 73' ' ' LEU . 96.0 mt -64.97 -39.45 93.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.433 178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.433 ' HE2' ' HE3' ' A' ' 76' ' ' LYS . 10.2 mtpm? -70.2 -34.41 72.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.868 176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -89.35 36.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.759 0.79 . . . . 0.0 110.384 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.573 HG23 ' CG2' ' A' ' 97' ' ' ILE . 85.2 m -89.87 -75.16 0.46 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.638 176.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.518 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 10.4 mt . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.582 177.047 . . . . . . . . 1 1 . 1 stop_ save_