data_2w84_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2w84 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.93 0.304 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.501 HG21 ' N ' ' A' ' 34' ' ' LYS . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' N ' HG21 ' A' ' 33' ' ' VAL . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.656 ' HB3' HG23 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.683 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' HG13 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.751 0.31 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.449 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.798 0.249 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HB2' HD23 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' HG11 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.5 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HG3' HD12 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.562 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.804 ' HA ' HD13 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.562 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.858 HG22 HD13 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.507 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.899 0.381 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.71 0.212 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 29' ' ' ILE . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' N ' HG21 ' A' ' 33' ' ' VAL . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.502 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.862 ' HA ' HG22 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.766 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD11 HG21 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HA ' HD11 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.665 ' HB3' HD12 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.862 HG22 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' CE1' HG23 ' A' ' 63' ' ' ILE . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.887 0.375 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . 0.432 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.766 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.313 0.464 . . . . 0.0 112.778 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.918 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 40' ' ' ARG . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.48 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' HG23 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HZ2' ' HB3' ' A' ' 60' ' ' ASP . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.526 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.23 0.072 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.237 0.451 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' HG23 ' A' ' 33' ' ' VAL . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 34' ' ' LYS . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 33' ' ' VAL . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 1.003 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HD2' HD21 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD13 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' A' ' 50' ' ' ARG . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.852 0.358 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.432 ' OE1' ' HA ' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 31.6 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.086 -0.39 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.476 HG21 ' N ' ' A' ' 34' ' ' LYS . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.518 HH12 HG23 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 HD11 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.518 HG23 HH12 ' A' ' 49' ' ' ARG . 4.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 5.9 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 C--O 1.235 0.345 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.406 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' HG21 ' A' ' 33' ' ' VAL . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.751 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.543 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' HG13 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . 0.457 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.951 0.313 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB2' HD12 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.689 ' HZ2' ' HB3' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD12 ' HB2' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.554 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 65' ' ' MET . 15.9 mm100 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.997 0.427 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . 0.409 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--O 1.235 0.338 0 N-CA-C 111.081 -0.392 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.44 ' HB3' HD22 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.549 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 28.2 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.592 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.592 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.624 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.82 HG21 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 C--O 1.235 0.358 0 CA-C-O 121.115 0.381 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.642 ' HB3' HD11 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 33' ' ' VAL . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 24.0 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.538 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -102.76 -21.75 14.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.446 0.641 . . . . 0.0 109.674 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.15 152.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.626 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.2 137.87 27.6 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.55 106.72 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.957 2.438 . . . . 0.0 112.311 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.501 HG21 ' N ' ' A' ' 34' ' ' LYS . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' N ' HG21 ' A' ' 33' ' ' VAL . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.656 ' HB3' HG23 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.656 HG23 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 74' ' ' ALA . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.683 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HA ' HG13 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.683 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 112.5 8.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 152.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.789 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 46' ' ' LEU . . . -116.55 68.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.98 73.22 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.543 0.687 . . . . 0.0 109.831 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.908 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . 0.586 ' O ' ' HG ' ' B' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 36.9 t -66.33 -60.85 2.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 117.156 0.478 . . . . 0.0 110.559 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.77 70.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.268 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . 0.423 ' HB3' ' H1 ' ' B' ' 93' ' ' GLY . 2.9 t70 -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.34 176.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 93' ' ' GLY . 96.8 mt -70.08 -49.5 50.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.449 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' SER . . . . . 0.457 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.27 -45.82 15.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.24 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.79 0.329 . . . . 0.0 111.415 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.04 -6.9 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.61 -60.9 2.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.122 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.536 -0.745 . . . . 2.5 110.436 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 t30 58.92 44.13 16.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.156 -1.384 . . . . 0.0 111.644 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.01 -10.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.345 0.593 . . . . 0.0 110.255 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 tp -95.33 119.24 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.693 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.72 160.31 41.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 123.064 2.509 . . . . 0.0 111.756 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HB2' HD23 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' HD2' HG11 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.5 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.598 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.622 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.858 HD13 HG22 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.684 ' HG3' HD12 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.562 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.804 ' HA ' HD13 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.562 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.858 HG22 HD13 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.507 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p -112.91 9.44 18.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.2 61.45 5.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 110.414 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.94 22.85 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.221 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.19 132.63 46.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.35 -42.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.422 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -70.77 -39.97 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.044 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.93 -30.41 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt -72.03 -38.97 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.603 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -67.86 -32.66 73.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.47 -17.56 62.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.133 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.85 -9.56 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.595 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.25 -61.25 3.05 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.229 -0.891 . . . . 2.5 109.872 175.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 60.72 66.97 0.86 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.491 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' HA ' HG23 ' A' ' 59' ' ' THR . 29.5 m -96.87 37.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.755 0.788 . . . . 0.0 109.665 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -100.8 113.25 65.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.329 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.88 107.59 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.863 2.376 . . . . 0.0 111.887 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 29' ' ' ILE . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' N ' HG21 ' A' ' 33' ' ' VAL . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.502 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.65 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.862 ' HA ' HG22 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.766 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD11 HG21 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 22' ' ' VAL . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.579 ' HA ' HD11 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.665 ' HB3' HD12 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.862 HG22 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.467 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.521 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -122.53 60.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 67' ' ' PHE . . . -145.31 58.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.391 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.99 -85.84 0.5 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.17 58.51 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.655 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.403 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t 66.85 -77.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.344 0.657 . . . . 0.0 111.322 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.27 86.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.212 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.96 -48.9 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.342 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.92 -50.93 15.15 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.33 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . 0.432 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.766 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.46 -31.1 65.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.07 67.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.061 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.44 -20.14 51.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.017 0.436 . . . . 0.0 110.323 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -92.37 -42.37 4.59 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.642 -0.694 . . . . 2.5 109.913 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.903 0.383 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.41 -26.99 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.08 62.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.913 0.863 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD23 ' HD2' ' A' ' 24' ' ' PRO . 2.6 tm? -89.75 127.08 55.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.591 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.738 ' HD2' HD23 ' A' ' 23' ' ' LEU . 97.4 Cg_exo -42.16 117.22 0.72 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.292 2.661 . . . . 0.0 112.778 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.918 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 HD22 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 40' ' ' ARG . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' HG23 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.575 HD11 HG21 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HZ2' ' HB3' ' A' ' 60' ' ' ASP . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.526 ' HB3' ' HZ2' ' A' ' 54' ' ' LYS . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.575 HG21 HD11 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.467 HG23 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p -119.87 27.65 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.33 42.81 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.211 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.12 71.59 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.288 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -125.64 120.39 30.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.065 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.73 -63.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 110.663 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.03 -31.8 69.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.84 -62.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.229 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.05 -33.28 75.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.791 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.62 -32.53 73.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.47 -30.7 63.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.79 75.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.136 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.58 -49.66 35.98 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.406 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.396 -0.811 . . . . 2.5 110.459 176.606 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.364 0.602 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -98.65 55.52 1.07 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.017 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.29 -4.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.683 0.754 . . . . 0.0 109.539 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' N ' HD13 ' A' ' 23' ' ' LEU . 5.0 mp -93.92 130.1 35.7 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.247 176.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.01 107.17 0.74 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.278 1.985 . . . . 0.0 111.029 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HB3' HD12 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.471 ' O ' HG12 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' HA ' HG23 ' A' ' 33' ' ' VAL . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 34' ' ' LYS . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' HG21 ' A' ' 33' ' ' VAL . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 1.003 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 1.003 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.53 ' HD2' HD21 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD13 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.584 ' HB3' HD13 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.584 HD13 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' A' ' 50' ' ' ARG . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -107.66 17.65 22.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.56 83.05 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.196 0.522 . . . . 0.0 110.807 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.93 83.7 7.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -130.19 150.73 51.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -172.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.193 170.533 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.38 -21.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 109.954 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -62.99 -35.11 79.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.752 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.31 -39.51 75.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.481 0.658 . . . . 0.0 110.397 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.56 -39.25 64.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.432 ' OE1' ' HA ' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.38 -34.14 77.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -51.73 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.839 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.23 -6.48 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 111.688 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -90.14 -5.21 70.64 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.027 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.493 -0.765 . . . . 2.5 110.342 -178.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.575 0.226 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -125.11 73.37 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.264 0.554 . . . . 0.0 109.814 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 t -87.06 71.3 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.51 HD11 ' HD2' ' A' ' 24' ' ' PRO . 64.2 tp -62.84 119.79 54.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.48 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' HD11 ' A' ' 23' ' ' LEU . 31.6 Cg_exo -59.58 136.83 73.7 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.564 2.176 . . . . 0.0 111.086 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.476 HG21 ' N ' ' A' ' 34' ' ' LYS . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.718 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.543 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.518 HH12 HG23 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 HD11 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.518 HG23 HH12 ' A' ' 49' ' ' ARG . 4.4 p -83.99 68.05 9.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.45 55.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.66 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 64.03 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.562 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.68 145.68 29.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.574 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.541 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t 57.04 90.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.172 0.511 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.97 -32.46 61.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.061 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.82 -41.03 85.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.019 0.438 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.84 -37.1 16.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.058 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 5.9 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.66 -32.97 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.11 -38.05 72.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 110.967 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.0 -24.7 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.949 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -62.32 -47.76 87.3 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.924 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.708 -0.663 . . . . 2.5 110.39 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 54.16 43.67 30.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.367 0.603 . . . . 0.0 111.128 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.55 -4.3 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.683 0.754 . . . . 0.0 109.956 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -99.38 114.01 65.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.756 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.45 141.83 39.41 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.749 2.299 . . . . 0.0 110.997 175.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.406 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' HG21 ' A' ' 33' ' ' VAL . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.751 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.423 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.543 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.657 HD11 HG21 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HD3' ' O ' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.657 HG21 HD11 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' HG13 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.537 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p -117.07 37.24 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.49 30.78 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.22 11.89 36.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.45 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.29 74.32 10.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.146 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.632 179.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.42 -29.08 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.627 0.251 . . . . 0.0 111.549 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.13 81.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.838 0.352 . . . . 0.0 110.988 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.42 -41.46 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.293 0.568 . . . . 0.0 110.147 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.51 -48.56 80.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.534 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . 0.457 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.13 -32.97 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.25 -26.01 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.87 -33.8 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 111.051 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.88 -36.42 13.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.371 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.803 -0.618 . . . . 2.5 110.598 -176.518 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HB3' HG11 ' A' ' 22' ' ' VAL . 7.6 tp10 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.1 t30 72.34 51.11 0.19 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.029 0.919 . . . . 0.0 108.936 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 20' ' ' GLU . 27.7 m -74.44 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.305 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 23' ' ' LEU . 4.0 pp -85.56 136.05 37.68 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 138.37 85.6 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.845 2.363 . . . . 0.0 112.91 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB2' HD12 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.689 ' HZ2' ' HB3' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD21 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.619 ' HD2' HD21 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD12 ' HB2' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.554 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 65' ' ' MET . 15.9 mm100 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -107.88 64.77 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.35 -59.98 3.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.999 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.69 171.89 19.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.818 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -144.46 113.78 7.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.264 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.95 -70.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.724 0.262 . . . . 0.0 110.851 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.0 -31.59 68.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.28 -55.54 17.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.398 0.618 . . . . 0.0 110.72 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -78.99 -45.19 20.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.71 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . 0.409 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.02 -35.21 79.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.06 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.12 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.9 -21.01 32.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.956 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.543 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.484 -0.769 . . . . 2.5 109.867 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t30 57.11 59.98 3.18 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.09 133.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.278 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD13 ' HD2' ' A' ' 24' ' ' PRO . 49.9 tp -90.45 126.52 56.13 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.147 174.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.706 ' HD2' HD13 ' A' ' 23' ' ' LEU . 9.9 Cg_endo -51.94 126.97 21.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.669 2.246 . . . . 0.0 111.081 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.44 ' HB3' HD22 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.549 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.425 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 28.2 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.592 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.592 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.624 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.82 HG21 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.538 ' HA ' HG11 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m -127.31 70.24 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.69 -44.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.86 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 93.83 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -108.24 55.21 0.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.487 0.661 . . . . 0.0 109.755 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.692 -176.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -56.32 -49.69 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.63 0.252 . . . . 0.0 111.213 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.495 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.83 -42.23 95.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.245 0.545 . . . . 0.0 110.851 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.01 -44.08 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.638 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.06 -45.72 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.05 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.82 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.62 -13.4 54.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.895 0.378 . . . . 0.0 110.742 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.77 -55.21 3.03 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.459 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.61 -0.71 . . . . 2.5 109.963 177.791 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.111 0.482 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -78.43 97.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.851 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.37 88.84 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.624 0.726 . . . . 0.0 111.464 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.633 HD11 ' HD2' ' A' ' 24' ' ' PRO . 55.7 tp -96.66 118.5 65.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.607 178.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.633 ' HD2' HD11 ' A' ' 23' ' ' LEU . 10.9 Cg_endo -53.89 150.22 30.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.039 2.492 . . . . 0.0 112.228 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.642 ' HB3' HD11 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.591 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' N ' HG21 ' A' ' 33' ' ' VAL . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 24.0 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p -92.99 -14.18 27.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.8 -95.86 0.06 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.355 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.58 -179.43 0.65 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 122.653 0.381 . . . . 0.0 110.04 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.69 89.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.801 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.887 -177.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.83 -77.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.06 -156.06 0.15 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.913 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -39.81 90.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.944 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.92 -48.04 83.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.276 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -85.7 -54.67 4.39 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.0 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.792 -173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.75 -6.45 27.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 111.215 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -100.26 -43.86 2.29 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.656 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.925 -0.56 . . . . 2.5 109.979 -178.364 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.93 0.304 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 66' ' ' ALA . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' ' HB2' ' B' ' 100' ' ' SER . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.514 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.475 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.751 0.31 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' SER . . . . . 0.472 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.798 0.249 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.624 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 49' ' ' ARG . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD12 HG23 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.718 ' HG3' HD11 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.567 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.862 HG23 HD12 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.899 0.381 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.71 0.212 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' ALA . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.878 ' HA ' HG21 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.781 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.878 HG21 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.411 ' HE2' ' HE ' ' A' ' 49' ' ' ARG . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.887 0.375 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.781 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 97.4 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.313 0.464 . . . . 0.0 112.778 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.921 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HG3' HG21 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 24' ' ' PRO . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.485 HG21 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.23 0.072 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.237 0.451 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HB3' HD13 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.664 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 29' ' ' ILE . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 34' ' ' LYS . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' B' ' 104' ' ' ALA . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 1.025 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.025 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' HD22 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.852 0.358 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' A' ' 35' ' ' PHE . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 31.6 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.086 -0.39 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' HA ' HD12 ' A' ' 36' ' ' LEU . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.729 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.537 HH12 HG21 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HE3' HD13 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.537 HG21 HH12 ' A' ' 49' ' ' ARG . 4.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 105' ' ' GLN . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 40.1 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 C--O 1.235 0.345 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD12 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.951 0.313 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 56' ' ' LYS . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 65' ' ' MET . 83.6 mm-40 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.997 0.427 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' TRP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--O 1.235 0.338 0 N-CA-C 111.081 -0.392 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HB3' HD23 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 79.3 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.633 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' HG12 ' A' ' 63' ' ' ILE . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.841 ' HG2' HG22 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 60' ' ' ASP . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 C--O 1.235 0.358 0 CA-C-O 121.115 0.381 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 97.9 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.618 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -102.76 -21.75 14.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.446 0.641 . . . . 0.0 109.674 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.15 152.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.626 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.2 137.87 27.6 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.55 106.72 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.957 2.438 . . . . 0.0 112.311 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 66' ' ' ALA . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' ' HB2' ' B' ' 100' ' ' SER . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 74' ' ' ALA . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.514 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.475 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 112.5 8.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 152.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.789 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 46' ' ' LEU . . . -116.55 68.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.98 73.22 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.543 0.687 . . . . 0.0 109.831 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.908 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLY . . . . . 0.597 ' O ' ' HG ' ' B' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 36.9 t -66.33 -60.85 2.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 117.156 0.478 . . . . 0.0 110.559 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.77 70.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.268 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.34 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' B' ' 93' ' ' GLY . 96.8 mt -70.08 -49.5 50.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' SER . . . . . 0.472 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.27 -45.82 15.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.24 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.79 0.329 . . . . 0.0 111.415 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.04 -6.9 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.61 -60.9 2.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.122 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.536 -0.745 . . . . 2.5 110.436 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 t30 58.92 44.13 16.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.156 -1.384 . . . . 0.0 111.644 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.01 -10.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.345 0.593 . . . . 0.0 110.255 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 tp -95.33 119.24 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.693 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.72 160.31 41.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 123.064 2.509 . . . . 0.0 111.756 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.624 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 49' ' ' ARG . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD12 HG23 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.718 ' HG3' HD11 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.567 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.862 HG23 HD12 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p -112.91 9.44 18.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.2 61.45 5.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 110.414 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.94 22.85 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.221 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.19 132.63 46.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.35 -42.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.422 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -70.77 -39.97 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.044 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.93 -30.41 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt -72.03 -38.97 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.603 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -67.86 -32.66 73.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.47 -17.56 62.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.133 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.85 -9.56 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.595 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.25 -61.25 3.05 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.229 -0.891 . . . . 2.5 109.872 175.886 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.72 66.97 0.86 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.491 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 59' ' ' THR . 29.5 m -96.87 37.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.755 0.788 . . . . 0.0 109.665 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -100.8 113.25 65.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.329 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.88 107.59 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.863 2.376 . . . . 0.0 111.887 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' ALA . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.878 ' HA ' HG21 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.781 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 22' ' ' VAL . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.878 HG21 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 73' ' ' ALA . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -122.53 60.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 67' ' ' PHE . . . -145.31 58.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.391 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.99 -85.84 0.5 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.17 58.51 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.655 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.403 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t 66.85 -77.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.344 0.657 . . . . 0.0 111.322 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.27 86.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.212 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.96 -48.9 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.342 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.92 -50.93 15.15 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.33 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.781 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.46 -31.1 65.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.07 67.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.061 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.44 -20.14 51.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.017 0.436 . . . . 0.0 110.323 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -92.37 -42.37 4.59 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.642 -0.694 . . . . 2.5 109.913 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.903 0.383 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.41 -26.99 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.08 62.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.913 0.863 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD22 ' HD2' ' A' ' 24' ' ' PRO . 2.6 tm? -89.75 127.08 55.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.591 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.765 ' HD2' HD22 ' A' ' 23' ' ' LEU . 97.4 Cg_exo -42.16 117.22 0.72 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.292 2.661 . . . . 0.0 112.778 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.921 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HG3' HG21 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 24' ' ' PRO . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.485 HG21 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p -119.87 27.65 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.33 42.81 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.211 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.12 71.59 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.288 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -125.64 120.39 30.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.065 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.73 -63.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 110.663 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.03 -31.8 69.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.84 -62.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.229 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.05 -33.28 75.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.791 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.62 -32.53 73.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.47 -30.7 63.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.79 75.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.136 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.58 -49.66 35.98 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.406 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.396 -0.811 . . . . 2.5 110.459 176.606 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.364 0.602 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -98.65 55.52 1.07 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.017 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.29 -4.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.683 0.754 . . . . 0.0 109.539 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -93.92 130.1 35.7 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.247 176.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.01 107.17 0.74 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.278 1.985 . . . . 0.0 111.029 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HB3' HD13 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.664 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 29' ' ' ILE . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 34' ' ' LYS . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' B' ' 104' ' ' ALA . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 1.025 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.025 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' HD22 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -107.66 17.65 22.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.56 83.05 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.196 0.522 . . . . 0.0 110.807 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.93 83.7 7.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -130.19 150.73 51.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -172.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.193 170.533 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.38 -21.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 109.954 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -62.99 -35.11 79.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.752 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.31 -39.51 75.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.481 0.658 . . . . 0.0 110.397 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.56 -39.25 64.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' A' ' 35' ' ' PHE . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.38 -34.14 77.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -51.73 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.839 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.23 -6.48 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 111.688 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -90.14 -5.21 70.64 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.027 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.493 -0.765 . . . . 2.5 110.342 -178.783 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.575 0.226 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -125.11 73.37 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.264 0.554 . . . . 0.0 109.814 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 t -87.06 71.3 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD12 ' HD2' ' A' ' 24' ' ' PRO . 64.2 tp -62.84 119.79 54.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.48 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.6 Cg_exo -59.58 136.83 73.7 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.564 2.176 . . . . 0.0 111.086 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' HA ' HD12 ' A' ' 36' ' ' LEU . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.729 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.537 HH12 HG21 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HE3' HD13 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.537 HG21 HH12 ' A' ' 49' ' ' ARG . 4.4 p -83.99 68.05 9.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.45 55.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.66 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 64.03 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.562 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.68 145.68 29.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.574 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.541 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t 57.04 90.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.172 0.511 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.97 -32.46 61.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.061 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.82 -41.03 85.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.019 0.438 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.84 -37.1 16.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.058 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 105' ' ' GLN . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 40.1 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.66 -32.97 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.11 -38.05 72.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 110.967 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.0 -24.7 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.949 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -62.32 -47.76 87.3 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.924 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.708 -0.663 . . . . 2.5 110.39 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 54.16 43.67 30.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.367 0.603 . . . . 0.0 111.128 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.55 -4.3 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.683 0.754 . . . . 0.0 109.956 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -99.38 114.01 65.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.756 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.45 141.83 39.41 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.749 2.299 . . . . 0.0 110.997 175.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD12 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p -117.07 37.24 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.49 30.78 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.22 11.89 36.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.45 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.29 74.32 10.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.146 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.632 179.509 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.42 -29.08 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.627 0.251 . . . . 0.0 111.549 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.13 81.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.838 0.352 . . . . 0.0 110.988 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.42 -41.46 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.293 0.568 . . . . 0.0 110.147 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.51 -48.56 80.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.534 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.13 -32.97 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.25 -26.01 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.87 -33.8 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 111.051 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.88 -36.42 13.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.371 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.803 -0.618 . . . . 2.5 110.598 -176.518 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HB3' HG13 ' A' ' 22' ' ' VAL . 7.6 tp10 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.1 t30 72.34 51.11 0.19 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.029 0.919 . . . . 0.0 108.936 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 20' ' ' GLU . 27.7 m -74.44 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.305 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' LEU . 4.0 pp -85.56 136.05 37.68 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 138.37 85.6 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.845 2.363 . . . . 0.0 112.91 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 56' ' ' LYS . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 65' ' ' MET . 83.6 mm-40 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -107.88 64.77 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.35 -59.98 3.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.999 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.69 171.89 19.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.818 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -144.46 113.78 7.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.264 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.95 -70.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.724 0.262 . . . . 0.0 110.851 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.0 -31.59 68.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.28 -55.54 17.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.398 0.618 . . . . 0.0 110.72 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -78.99 -45.19 20.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.71 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' TRP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.02 -35.21 79.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.06 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.12 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.9 -21.01 32.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.956 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.543 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.484 -0.769 . . . . 2.5 109.867 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t30 57.11 59.98 3.18 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.09 133.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.278 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 24' ' ' PRO . 49.9 tp -90.45 126.52 56.13 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.147 174.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 23' ' ' LEU . 9.9 Cg_endo -51.94 126.97 21.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.669 2.246 . . . . 0.0 111.081 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HB3' HD23 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 79.3 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.633 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' HG12 ' A' ' 63' ' ' ILE . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.841 ' HG2' HG22 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 60' ' ' ASP . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m -127.31 70.24 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.69 -44.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.86 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 93.83 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -108.24 55.21 0.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.487 0.661 . . . . 0.0 109.755 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.692 -176.893 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -56.32 -49.69 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.63 0.252 . . . . 0.0 111.213 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.495 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.83 -42.23 95.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.245 0.545 . . . . 0.0 110.851 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.01 -44.08 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.638 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.06 -45.72 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.05 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.82 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.62 -13.4 54.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.895 0.378 . . . . 0.0 110.742 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.77 -55.21 3.03 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.459 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.61 -0.71 . . . . 2.5 109.963 177.791 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.111 0.482 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -78.43 97.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.851 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.37 88.84 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.624 0.726 . . . . 0.0 111.464 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' HD2' ' A' ' 24' ' ' PRO . 55.7 tp -96.66 118.5 65.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.607 178.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 23' ' ' LEU . 10.9 Cg_endo -53.89 150.22 30.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.039 2.492 . . . . 0.0 112.228 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 97.9 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.618 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p -92.99 -14.18 27.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.8 -95.86 0.06 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.355 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.58 -179.43 0.65 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 122.653 0.381 . . . . 0.0 110.04 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.69 89.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.801 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.887 -177.698 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.83 -77.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.06 -156.06 0.15 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.913 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -39.81 90.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.944 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.92 -48.04 83.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.276 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -85.7 -54.67 4.39 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.0 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.792 -173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.75 -6.45 27.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 111.215 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -100.26 -43.86 2.29 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.656 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.925 -0.56 . . . . 2.5 109.979 -178.364 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.93 0.304 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 66' ' ' ALA . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' ' HB2' ' B' ' 100' ' ' SER . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.514 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.475 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.751 0.31 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . 0.472 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 C--O 1.231 0.157 0 CA-C-O 120.798 0.249 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.624 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 49' ' ' ARG . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.862 HD12 HG23 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.718 ' HG3' HD11 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.567 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.862 HG23 HD12 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.899 0.381 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.235 0.331 0 CA-C-O 120.71 0.212 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' ALA . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.878 ' HA ' HG21 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.781 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.878 HG21 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.411 ' HE2' ' HE ' ' A' ' 49' ' ' ARG . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.887 0.375 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.781 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.427 ' HA ' ' OE2' ' A' ' 62' ' ' GLU . 97.4 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 121.313 0.464 . . . . 0.0 112.778 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.921 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HG3' HG21 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 24' ' ' PRO . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.485 HG21 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.23 0.072 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--O 1.237 0.451 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HB3' HD13 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.664 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 29' ' ' ILE . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 34' ' ' LYS . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' B' ' 104' ' ' ALA . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 1.025 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.025 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' HD22 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.852 0.358 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' A' ' 35' ' ' PHE . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HB3' ' HG2' ' A' ' 62' ' ' GLU . 31.6 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 N-CA-C 111.086 -0.39 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' HA ' HD12 ' A' ' 36' ' ' LEU . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.729 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.537 HH12 HG21 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HE3' HD13 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.537 HG21 HH12 ' A' ' 49' ' ' ARG . 4.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 105' ' ' GLN . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 5.9 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 C--O 1.235 0.345 0 N-CA-C 110.997 -0.424 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.737 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD12 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.767 0.318 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--O 1.235 0.365 0 CA-C-O 120.951 0.313 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' NZ ' ' HB3' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 56' ' ' LYS . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 65' ' ' MET . 15.9 mm100 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.997 0.427 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 C--O 1.235 0.338 0 N-CA-C 111.081 -0.392 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HB3' HD23 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 28.2 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.633 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' HG12 ' A' ' 63' ' ' ILE . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.841 ' HG2' HG22 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 60' ' ' ASP . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo . . . . . 0 C--O 1.235 0.358 0 CA-C-O 121.115 0.381 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 24.0 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.618 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt . . . . . 0 C--O 1.232 0.153 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -102.76 -21.75 14.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.446 0.641 . . . . 0.0 109.674 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.1 p -135.15 152.46 32.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.626 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.3 mt -90.2 137.87 27.6 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -47.55 106.72 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.957 2.438 . . . . 0.0 112.311 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -84.93 113.4 21.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.479 0.657 . . . . 0.0 111.364 -173.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . 24.0 tp10 -50.43 -47.02 84.55 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 114.35 -1.295 . . . . 0.0 112.688 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.495 ' HD3' ' HB3' ' A' ' 26' ' ' GLU . 71.4 Cg_exo -51.28 -38.12 61.27 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.011 1.807 . . . . 0.0 112.927 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HB3' HD21 ' A' ' 58' ' ' LEU . 61.3 mt -82.54 -43.92 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.967 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.62 -39.37 81.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.997 0.427 . . . . 0.0 110.252 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.43 -28.8 69.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.984 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.0 m -80.0 -38.13 32.74 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -61.57 -43.4 98.92 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.072 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 66' ' ' ALA . 22.1 m -67.36 -40.63 85.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.446 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.478 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HD3' ' HB2' ' B' ' 100' ' ' SER . 23.7 tttp -58.77 -43.98 90.51 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -61.03 -47.89 84.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.357 -1.292 . . . . 0.0 111.292 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 8.2 mp -67.37 -26.15 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 111.815 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 75.31 6.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.442 0.639 . . . . 0.0 110.034 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 41' ' ' VAL . 18.2 t-20 -148.41 143.68 26.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.471 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.3 m -50.31 -58.31 5.94 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -173.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -84.05 -29.18 27.07 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.29 -0.564 . . . . 0.0 112.096 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 38' ' ' ASN . 7.2 m -67.15 -18.87 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.714 -178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -76.33 -27.55 56.56 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.473 0.654 . . . . 0.0 109.63 174.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -87.36 6.18 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.898 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 20.5 m -106.07 141.34 22.52 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.998 -175.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 53.0 Cg_exo -56.4 146.81 71.58 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 123.602 2.868 . . . . 0.0 113.407 -177.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.496 HD11 ' HA ' ' A' ' 74' ' ' ALA . 54.2 mt -58.23 -31.93 67.84 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.372 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.07 76.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.203 0.314 . . . . 0.0 111.188 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 m -74.59 -41.8 59.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.057 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.514 ' HD2' ' HE2' ' A' ' 67' ' ' PHE . 12.6 ttm180 -66.93 -50.44 62.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.828 -176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -65.54 -39.46 91.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.603 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -63.02 -37.41 87.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.71 -47.48 85.48 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.919 0.39 . . . . 0.0 110.492 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 58' ' ' LEU . 3.3 mm? -65.34 -32.21 73.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.755 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -66.57 -42.28 87.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.938 0.399 . . . . 0.0 110.034 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 51' ' ' ALA . 66.8 mttm -67.73 -24.09 65.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.351 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -75.53 -11.73 60.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.509 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.72 8.16 43.36 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.834 177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 HD12 ' A' ' 53' ' ' LEU . 73.3 mt -91.69 155.28 18.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.118 0.485 . . . . 0.0 110.959 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 63' ' ' ILE . 43.1 p -99.88 158.19 15.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.803 -177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -47.03 -44.66 20.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -176.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -58.48 -50.64 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.628 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.67 -38.81 91.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.615 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 59' ' ' THR . 66.7 mt -70.61 -45.56 73.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.522 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.692 ' HA ' ' CD1' ' A' ' 67' ' ' PHE . 3.1 t70 -68.47 -31.47 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.034 0.445 . . . . 0.0 110.756 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.0 mmt -66.88 -33.75 76.29 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.475 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.12 -39.91 95.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.419 177.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.692 ' CD1' ' HA ' ' A' ' 64' ' ' ASP . 30.2 m-85 -58.47 -48.99 78.95 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.797 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -64.74 -32.37 74.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.383 -176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -82.14 -15.74 52.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.5 m -100.21 -14.12 18.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.42 38.4 3.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.186 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.1 p -138.66 112.5 8.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.889 0.376 . . . . 0.0 110.817 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.39 152.05 40.98 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.789 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' ' 46' ' ' LEU . . . -116.55 68.05 0.73 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -84.98 73.22 10.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.543 0.687 . . . . 0.0 109.831 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.446 -0.797 . . . . 0.0 108.908 177.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . 0.597 ' O ' ' HG ' ' B' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.488 2.108 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 36.9 t -66.33 -60.85 2.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 117.156 0.478 . . . . 0.0 110.559 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.87 -29.77 70.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.268 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.48 -41.45 85.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.34 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' B' ' 93' ' ' GLY . 96.8 mt -70.08 -49.5 50.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.547 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HA ' ' OE2' ' B' ' 101' ' ' GLU . . . -60.59 -38.23 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.514 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.88 -41.16 91.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.194 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . 0.472 ' HB2' ' HD3' ' A' ' 34' ' ' LYS . 26.0 t -61.21 -35.76 78.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.693 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' B' ' 98' ' ' ALA . 49.1 mt-10 -61.19 -39.0 88.54 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.611 178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 27.5 t-20 -69.26 -44.91 70.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.704 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -57.81 -50.91 71.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.09 98.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.871 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -54.03 -58.12 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.357 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 4.7 mm-40 -61.68 -41.87 98.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.184 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -67.48 -41.5 84.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.224 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.27 -45.82 15.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.548 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.24 69.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.79 0.329 . . . . 0.0 111.415 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.04 -6.9 58.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -77.61 -60.9 2.69 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.122 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.536 -0.745 . . . . 2.5 110.436 -178.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.423 0.63 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 t30 58.92 44.13 16.98 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 114.156 -1.384 . . . . 0.0 111.644 171.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.2 p -94.01 -10.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.345 0.593 . . . . 0.0 110.255 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 tp -95.33 119.24 65.79 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.693 -178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.72 160.31 41.07 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 123.064 2.509 . . . . 0.0 111.756 176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -95.62 88.28 4.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.771 0.32 . . . . 0.0 110.973 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 29.6 tt0 -50.57 -52.55 54.75 Favored Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 14.6 Cg_endo -56.05 -32.66 87.17 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.188 1.925 . . . . 0.0 112.449 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HB2' HD21 ' A' ' 58' ' ' LEU . 65.1 mt -82.3 -43.8 17.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.696 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 75.2 mt -64.84 -40.78 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 110.777 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 33' ' ' VAL . . . -64.96 -36.78 85.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 0.0 110.913 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.5 m -74.97 -34.52 62.04 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -63.01 -39.66 95.41 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.548 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 30' ' ' ALA . 9.9 p -67.4 -41.63 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' HG13 ' A' ' 33' ' ' VAL . 11.0 mptt -65.99 -34.35 77.91 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 38.7 t80 -58.16 -48.86 78.96 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.063 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 16.3 mt -65.73 -27.58 68.42 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.744 177.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -78.2 68.41 4.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 0.0 111.549 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.624 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 47.6 m-80 -148.85 149.93 32.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.5 m -52.38 -76.12 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -171.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -74.61 -28.58 60.95 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.958 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.624 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 88.5 t -61.93 -35.98 71.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.229 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -73.11 -38.75 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.204 0.526 . . . . 0.0 110.407 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -88.02 25.84 1.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.096 -176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.5 m -102.53 147.33 33.86 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -45.69 130.29 12.25 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.876 3.051 . . . . 0.0 113.057 -176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.5 pt? -63.57 -30.63 71.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.779 -172.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.98 -49.14 79.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.801 0.334 . . . . 0.0 110.863 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.2 m -62.29 -34.98 77.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' A' ' 49' ' ' ARG . 18.4 mtm180 -67.62 -40.79 84.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.195 177.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 60.5 mtp85 -62.76 -44.32 96.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.406 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.67 80.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.76 -47.1 87.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.372 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.862 HD12 HG23 ' A' ' 63' ' ' ILE . 73.6 mt -68.45 -36.84 79.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.763 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.718 ' HG3' HD11 ' A' ' 63' ' ' ILE . 35.0 mtmm -67.93 -35.04 77.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.004 0.43 . . . . 0.0 109.994 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -63.4 -29.62 70.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.192 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 56' ' ' LYS . 11.3 tppt? -77.58 -8.65 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.914 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.14 3.97 47.88 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.596 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 28' ' ' LEU . 84.8 mt -84.67 160.0 20.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.023 0.44 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.567 ' HB ' ' OE1' ' A' ' 61' ' ' GLU . 36.8 p -89.09 157.2 18.4 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.798 ' HA ' HD12 ' A' ' 63' ' ' ILE . 15.1 t70 -65.62 -30.61 71.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.988 0.423 . . . . 0.0 111.126 -174.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' OE1' ' HB ' ' A' ' 59' ' ' THR . 1.7 pm0 -67.67 -35.63 79.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.316 176.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.21 -27.42 68.67 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.187 0.518 . . . . 0.0 109.974 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.862 HG23 HD12 ' A' ' 53' ' ' LEU . 68.2 mt -68.24 -43.7 84.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.658 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -63.54 -31.69 72.93 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.89 0.376 . . . . 0.0 110.39 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.513 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 26.5 ttt -71.82 -42.31 67.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.834 179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.23 89.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.254 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -61.41 -40.77 95.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.7 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -62.03 -39.6 92.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.995 -178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 65' ' ' MET . 9.4 mm100 -76.61 -27.42 55.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.252 -177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -89.35 -14.68 35.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.591 0.234 . . . . 0.0 110.917 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.45 24.2 34.45 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.471 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.9 p -112.91 9.44 18.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.083 0.468 . . . . 0.0 111.25 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.2 61.45 5.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.182 0.515 . . . . 0.0 110.414 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.94 22.85 15.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.221 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -101.19 132.63 46.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.245 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.35 -42.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.797 0.332 . . . . 0.0 110.422 176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.448 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -70.77 -39.97 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 0.0 110.044 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -66.93 -30.41 70.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 66.2 mt -72.03 -38.97 69.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.603 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.02 -48.06 55.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 96.3 mt -58.74 -51.72 68.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.362 -177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.8 m -57.87 -34.97 70.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.774 0.321 . . . . 0.0 111.469 -177.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -71.37 -42.18 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.623 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' B' ' 106' ' ' GLU . 9.5 m120 -64.46 -38.85 92.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.538 176.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -58.65 -43.81 89.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.12 93.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.669 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.92 -45.91 90.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.823 176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' B' ' 102' ' ' ASN . 59.1 mm-40 -58.61 -38.46 78.03 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 178.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.67 -47.78 79.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.963 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.9 mt -67.86 -32.66 73.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.272 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.47 -17.56 62.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.133 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.85 -9.56 59.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.007 0.432 . . . . 0.0 110.595 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -75.25 -61.25 3.05 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.229 -0.891 . . . . 2.5 109.872 175.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 CA--C 1.518 -0.287 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 m120 60.72 66.97 0.86 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.491 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' HG21 ' A' ' 59' ' ' THR . 29.5 m -96.87 37.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.755 0.788 . . . . 0.0 109.665 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -100.8 113.25 65.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.329 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.88 107.59 0.36 Allowed 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.863 2.376 . . . . 0.0 111.887 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -113.19 99.53 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.354 0.597 . . . . 0.0 111.519 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.07 -35.47 34.12 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -50.29 -36.63 47.76 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.862 1.708 . . . . 0.0 112.331 173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.02 -38.77 61.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.083 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 62' ' ' GLU . 46.5 mm -65.98 -44.64 92.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.69 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -61.8 -36.25 80.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -74.34 -38.45 63.24 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.44 -40.87 98.01 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.725 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 30' ' ' ALA . 14.6 m -66.5 -39.31 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.19 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.3 -40.26 89.87 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 56.8 t80 -60.75 -53.22 60.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.317 -1.31 . . . . 0.0 111.58 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.78 -39.52 94.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -75.53 79.55 2.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.401 0.62 . . . . 0.0 111.45 -177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 41.7 m-80 -149.65 170.64 18.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.559 -1.2 . . . . 0.0 108.191 176.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.7 p -59.79 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -173.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 64.3 mtt180 -74.78 -25.58 59.16 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.659 -177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 47.7 t -64.69 -33.88 66.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.933 0.397 . . . . 0.0 111.334 -178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -76.21 -37.97 57.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.785 0.326 . . . . 0.0 111.014 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 19.5 pt20 -86.32 24.96 1.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.427 -177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 63.5 m -108.0 150.18 40.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 176.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.27 138.14 46.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.892 2.394 . . . . 0.0 112.033 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.66 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -75.85 -20.62 57.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.031 -175.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.71 79.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.292 0.37 . . . . 0.0 111.395 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p -67.52 -32.64 73.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.054 0.454 . . . . 0.0 111.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HE ' ' HE2' ' A' ' 67' ' ' PHE . 21.5 mtm180 -67.24 -37.3 83.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.878 ' HA ' HG21 ' A' ' 63' ' ' ILE . 32.5 mtp85 -58.47 -50.36 73.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.917 174.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.32 -38.03 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.16 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.781 ' HE2' ' HB2' ' B' ' 106' ' ' GLU . 90.3 t80 -57.22 -52.4 65.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.084 0.468 . . . . 0.0 110.941 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.815 HD12 HG23 ' A' ' 63' ' ' ILE . 81.4 mt -68.33 -26.15 65.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.603 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 50' ' ' ARG . 68.2 mttm -64.19 -44.29 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -62.27 -35.95 80.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.02 173.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -69.18 -15.78 63.48 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.257 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 12.44 37.53 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.22 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.9 mp -89.03 155.98 19.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.765 0.317 . . . . 0.0 110.302 178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.534 HG21 ' HA ' ' A' ' 22' ' ' VAL . 41.2 p -86.34 155.09 20.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.822 177.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.607 ' HA ' HD12 ' A' ' 63' ' ' ILE . 30.6 t70 -54.94 -43.81 73.73 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 65' ' ' MET . 32.6 tt0 -63.0 -35.18 79.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.501 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 29' ' ' ILE . 50.9 mt-10 -64.38 -32.85 74.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.199 0.523 . . . . 0.0 110.021 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.878 HG21 ' HA ' ' A' ' 50' ' ' ARG . 54.3 mt -68.78 -41.2 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.53 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -61.16 -39.18 89.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.108 176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.471 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 85.8 mtp -64.42 -36.42 84.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.202 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.0 98.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.795 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 73' ' ' ALA . 30.8 m-85 -64.54 -39.31 93.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.611 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -65.79 -42.72 90.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.734 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.91 -35.19 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.437 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.3 m -82.47 -18.68 40.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.092 0.472 . . . . 0.0 110.652 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.58 26.53 50.47 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.168 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -122.53 60.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.271 0.558 . . . . 0.0 110.43 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HB2' ' HB3' ' A' ' 67' ' ' PHE . . . -145.31 58.77 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.391 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.99 -85.84 0.5 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 58.17 58.51 3.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.655 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.403 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t 66.85 -77.3 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 123.344 0.657 . . . . 0.0 111.322 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.17 -37.27 86.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.212 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.96 -48.9 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.342 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.92 -50.93 15.15 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.33 -176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.5 99.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.024 -174.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.2 tp -78.59 -36.68 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.537 -173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 50.1 p -63.11 -44.73 94.82 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.73 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.38 -29.84 68.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 5.0 t30 -64.69 -49.96 68.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . 0.416 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 14.6 m0 -61.71 -44.08 97.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.883 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.8 84.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.637 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -58.49 -51.74 68.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.552 177.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.781 ' HB2' ' HE2' ' A' ' 52' ' ' PHE . 37.2 mt-10 -60.77 -43.83 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.051 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -62.68 -48.57 78.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.19 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 89.8 mt -72.46 -31.1 65.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.07 67.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.061 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.44 -20.14 51.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.017 0.436 . . . . 0.0 110.323 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -92.37 -42.37 4.59 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.508 -0.637 . . . . 0.0 111.508 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.642 -0.694 . . . . 2.5 109.913 178.608 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 120.903 0.383 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -73.41 -26.99 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.08 62.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.913 0.863 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD22 ' HD2' ' A' ' 24' ' ' PRO . 2.6 tm? -89.75 127.08 55.58 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.16 -0.927 . . . . 0.0 108.591 178.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.765 ' HD2' HD22 ' A' ' 23' ' ' LEU . 97.4 Cg_exo -42.16 117.22 0.72 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.292 2.661 . . . . 0.0 112.778 179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.921 ' HE ' ' HA ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -94.42 100.99 12.9 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.209 -174.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 1.8 pm0 -55.67 -36.21 43.25 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.435 -0.802 . . . . 0.0 113.115 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 7.2 Cg_endo -51.68 -35.78 58.91 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.848 1.699 . . . . 0.0 112.425 173.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -86.53 -44.4 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.465 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.06 -41.58 89.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -68.17 -30.55 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.085 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.3 m -76.6 -35.33 58.18 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -61.23 -38.19 85.75 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.034 174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.93 -49.5 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.381 175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 60.4 mttm -55.58 -34.79 65.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.589 0.709 . . . . 0.0 109.776 178.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -70.04 -51.44 32.06 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.321 177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 32' ' ' ALA . 3.7 mm? -55.67 -50.8 69.28 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.076 0.465 . . . . 0.0 110.931 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -87.63 66.07 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.711 0.767 . . . . 0.0 110.352 -178.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -106.4 -69.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.762 -1.108 . . . . 0.0 108.386 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.6 t -172.46 -79.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.006 169.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HA ' ' HG2' ' A' ' 43' ' ' GLN . 11.2 ptp180 -82.8 -20.33 35.96 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.018 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 49.5 t -62.92 -26.03 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.308 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' HG3' HG21 ' A' ' 72' ' ' THR . 38.7 ttp180 -75.07 -37.77 61.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 40' ' ' ARG . 4.7 pt20 -95.96 17.47 15.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 74.0 m -85.23 164.64 40.24 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.228 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 78.5 Cg_exo -52.44 128.42 27.72 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 123.029 2.486 . . . . 0.0 112.43 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.24 -39.05 81.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.225 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.68 89.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.066 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.8 m -64.34 -39.57 94.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.788 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 46.6 mtm180 -65.13 -47.47 76.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.084 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -61.44 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.715 -178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.93 -36.77 85.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.479 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -62.68 -45.32 93.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.909 0.385 . . . . 0.0 110.553 -177.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 HG23 ' A' ' 63' ' ' ILE . 89.1 mt -67.92 -32.88 73.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.363 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -72.69 -36.82 67.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.229 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -66.9 -23.56 66.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.16 0.505 . . . . 0.0 109.965 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -79.02 -6.75 57.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.359 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.63 4.26 49.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.19 175.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.8 142.53 32.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.25 0.548 . . . . 0.0 110.635 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.7 m -81.29 149.87 28.77 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.194 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -47.85 -41.53 24.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.572 0.624 . . . . 0.0 112.288 -176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -61.13 -44.55 97.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.936 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' HA ' ' A' ' 24' ' ' PRO . 42.1 mt-10 -65.97 -35.97 82.04 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.655 178.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG23 HD12 ' A' ' 53' ' ' LEU . 69.8 mt -68.84 -44.13 82.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.59 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 13.4 t70 -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.879 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.458 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 50.2 ttm -67.43 -34.01 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.353 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.57 98.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.67 177.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -65.16 -35.73 82.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.603 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 77.8 mt-30 -64.01 -39.89 95.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.739 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 65' ' ' MET . 84.3 mm-40 -77.3 -27.8 53.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.318 -176.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.2 t -85.51 -19.92 30.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.987 0.422 . . . . 0.0 111.19 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.96 29.13 43.09 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.657 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.485 HG21 ' HG3' ' A' ' 42' ' ' ARG . 12.5 p -119.87 27.65 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.046 0.451 . . . . 0.0 111.006 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.33 42.81 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.211 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.12 71.59 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.288 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -125.64 120.39 30.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.058 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.065 179.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.796 -0.122 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -103.73 -63.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.419 . . . . 0.0 110.663 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.03 -31.8 69.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.84 -62.68 1.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.229 -176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.05 -33.28 75.66 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.791 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.38 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.789 0.328 . . . . 0.0 111.485 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.95 -47.1 54.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.627 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -60.09 -37.15 79.08 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.756 0.312 . . . . 0.0 110.478 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.71 -53.78 53.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.62 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.02 -45.26 93.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.358 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . 0.421 ' HZ3' ' HA ' ' A' ' 32' ' ' ALA . 19.3 m0 -60.46 -46.37 90.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.72 97.46 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.003 0.43 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.66 -48.61 79.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.55 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.61 -29.76 67.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.889 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -64.27 -45.94 85.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.413 177.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.62 -32.53 73.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.737 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.47 -30.7 63.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.806 177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.26 -34.79 75.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.136 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.58 -49.66 35.98 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.406 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.5 t70 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.396 -0.811 . . . . 2.5 110.459 176.606 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.364 0.602 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -98.65 55.52 1.07 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.017 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.29 -4.63 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.683 0.754 . . . . 0.0 109.539 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 23' ' ' LEU . 5.0 mp -93.92 130.1 35.7 Favored Pre-proline 0 N--CA 1.449 -0.521 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.247 176.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -64.01 107.17 0.74 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 122.278 1.985 . . . . 0.0 111.029 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HB3' HD13 ' A' ' 28' ' ' LEU . 81.1 mtt-85 -105.74 95.4 5.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 0.0 110.69 -175.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -65.07 -34.96 11.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.09 -38.66 70.87 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 121.548 1.499 . . . . 0.0 112.005 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.0 mp -78.48 -43.29 27.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.416 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' O ' HG13 ' A' ' 33' ' ' VAL . 72.2 mt -60.34 -39.33 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.598 178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.73 -27.01 68.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 m -80.5 -36.51 33.22 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.664 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -65.34 -41.81 93.51 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.682 177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 29' ' ' ILE . 20.1 m -68.84 -36.88 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 120.809 0.338 . . . . 0.0 110.625 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 34' ' ' LYS . 22.9 ttmm -65.94 -36.71 84.11 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' B' ' 104' ' ' ALA . 36.4 t80 -63.0 -48.5 78.55 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.145 175.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 55.2 mt -61.77 -36.67 81.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.07 0.462 . . . . 0.0 110.126 178.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 73.88 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.774 0.797 . . . . 0.0 110.778 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 1.025 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 13.4 t-20 -124.1 -178.3 4.04 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.6 m -69.71 -81.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.853 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -80.35 -19.82 45.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.076 0.465 . . . . 0.0 111.102 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.025 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 89.2 t -67.4 -21.26 27.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.722 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -75.06 -38.86 61.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.772 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -87.88 22.32 2.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.74 0.305 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.8 m -98.43 148.31 34.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo -47.98 131.46 21.24 Favored 'Trans proline' 0 C--O 1.238 0.492 0 C-N-CA 123.689 2.926 . . . . 0.0 112.889 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 83.4 mt -53.4 -41.78 66.31 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.103 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -47.66 83.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.849 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.7 m -64.77 -36.81 85.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.001 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.52 ' HD2' HD22 ' A' ' 36' ' ' LEU . 46.9 mtm180 -69.51 -42.35 74.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.819 177.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HB3' HD12 ' A' ' 63' ' ' ILE . 23.5 mtp180 -61.18 -47.08 87.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.97 -32.27 73.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.439 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -65.47 -47.12 77.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.139 0.495 . . . . 0.0 109.924 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.4 mt -68.97 -30.51 68.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.983 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -68.45 -39.98 81.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.092 0.472 . . . . 0.0 110.036 178.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -70.73 -21.75 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.513 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -74.02 -9.1 58.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.182 177.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.17 5.96 37.13 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.601 -0.809 . . . . 0.0 113.028 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 53' ' ' LEU . 97.3 mt -89.04 163.36 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.825 0.345 . . . . 0.0 110.442 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.9 p -101.76 171.18 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.635 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.86 -41.12 73.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.41 -42.85 67.79 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.534 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.55 -42.4 92.28 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.499 ' O ' ' HD1' ' A' ' 67' ' ' PHE . 27.7 pt -71.42 -39.41 71.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.85 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.09 -33.94 76.93 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.277 0.561 . . . . 0.0 109.948 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.4 ttt -68.12 -32.58 72.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -64.99 -45.29 86.22 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.234 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' HD1' ' O ' ' A' ' 63' ' ' ILE . 63.9 m-85 -61.73 -34.84 76.53 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.556 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -66.26 -43.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.605 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.22 -26.6 60.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.751 -176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.5 m -78.13 -21.52 50.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.156 0.503 . . . . 0.0 110.444 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.47 25.8 49.48 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.129 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 p -107.66 17.65 22.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.989 0.423 . . . . 0.0 110.87 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.56 83.05 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.196 0.522 . . . . 0.0 110.807 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.93 83.7 7.05 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -130.19 150.73 51.31 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -172.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.193 170.533 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.38 -21.15 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.061 0.457 . . . . 0.0 109.954 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' B' ' 99' ' ' LEU . . . -62.99 -35.11 79.12 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.752 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.31 -39.51 75.94 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.481 0.658 . . . . 0.0 110.397 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -73.56 -39.25 64.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.179 -0.918 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.57 84.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.011 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 95' ' ' ALA . 97.5 mt -64.94 -53.19 50.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 14.6 m -60.16 -29.33 68.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.035 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.26 -46.83 79.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.763 176.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.31 -39.25 78.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.632 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -62.13 -55.11 32.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' A' ' 35' ' ' PHE . . . -62.23 -39.3 92.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.509 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -59.67 -47.66 84.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.939 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.438 ' HA ' ' OE1' ' B' ' 106' ' ' GLU . 5.1 mm-40 -68.11 -31.43 71.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.66 -50.75 61.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.798 0.332 . . . . 0.0 110.751 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.38 -34.14 77.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.952 0.406 . . . . 0.0 111.205 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -78.44 -51.73 9.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.839 -177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.23 -6.48 59.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 111.688 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -90.14 -5.21 70.64 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.027 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.3 t70 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.493 -0.765 . . . . 2.5 110.342 -178.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.575 0.226 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -125.11 73.37 1.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.264 0.554 . . . . 0.0 109.814 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 t -87.06 71.3 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.546 HD12 ' HD2' ' A' ' 24' ' ' PRO . 64.2 tp -62.84 119.79 54.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.48 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.546 ' HD2' HD12 ' A' ' 23' ' ' LEU . 31.6 Cg_exo -59.58 136.83 73.7 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.564 2.176 . . . . 0.0 111.086 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -89.98 92.07 8.84 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.0 -37.52 39.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -51.86 -33.2 50.1 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.594 1.53 . . . . 0.0 112.464 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.3 mt -85.79 -41.23 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.4 -38.63 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.338 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 34' ' ' LYS . . . -62.29 -31.52 72.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.634 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.8 m -78.56 -38.85 39.27 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.572 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -60.17 -43.63 95.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.498 177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' HA ' HD12 ' A' ' 36' ' ' LEU . 19.8 m -66.45 -38.67 82.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -57.79 -41.31 81.84 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 36.1 t80 -60.02 -49.98 75.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.7 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt -65.46 -26.97 68.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.643 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.23 72.71 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.606 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.729 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 45.0 t-20 -150.01 139.39 21.4 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 m -41.17 -75.11 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -168.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.7 mtt180 -79.79 -23.84 41.87 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.422 -0.511 . . . . 0.0 112.025 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 ' HB ' ' HB3' ' A' ' 38' ' ' ASN . 64.0 t -64.39 -30.2 49.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.295 0.569 . . . . 0.0 110.434 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 42' ' ' ARG . 13.6 ttp180 -72.88 -36.74 67.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.197 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -89.58 19.71 4.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.178 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -95.55 152.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.529 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.36 128.79 10.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.634 2.889 . . . . 0.0 112.64 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 40.1 tp -61.91 -36.83 82.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.185 -175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.3 97.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.1 m -63.88 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.302 0.572 . . . . 0.0 110.622 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.537 HH12 HG21 ' A' ' 72' ' ' THR . 73.8 mtp180 -67.29 -43.2 82.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.93 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.55 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 28.9 mtp180 -59.9 -47.69 84.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.525 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.9 -35.59 80.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.64 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -61.96 -46.72 88.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.506 0.669 . . . . 0.0 109.996 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.51 -33.39 74.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.464 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HE3' HD13 ' A' ' 63' ' ' ILE . 32.2 mmtp -63.44 -41.56 98.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.106 0.479 . . . . 0.0 109.74 174.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -59.31 -32.65 70.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.261 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -72.53 -11.74 60.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.89 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.09 13.63 53.97 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.409 -0.9 . . . . 0.0 112.521 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.35 142.24 29.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.853 0.359 . . . . 0.0 110.047 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m -86.55 160.11 19.05 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' HA ' HG12 ' A' ' 63' ' ' ILE . 21.1 t70 -56.95 -41.75 78.85 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.099 0.409 . . . . 0.0 111.804 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 65' ' ' MET . 41.8 mt-10 -57.26 -44.05 83.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.344 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' A' ' 24' ' ' PRO . 37.6 mt-10 -66.18 -41.77 89.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.349 -177.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 HD13 ' HE3' ' A' ' 54' ' ' LYS . 22.3 pt -70.86 -37.33 67.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.832 0.348 . . . . 0.0 110.419 -176.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.07 -38.05 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.429 0.633 . . . . 0.0 109.652 177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.589 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 30.3 mmt -66.67 -38.82 87.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.073 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.55 97.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.082 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 38.4 m-85 -63.58 -44.01 95.32 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -71.49 -35.85 70.92 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.716 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 65' ' ' MET . 97.7 mt-30 -73.22 -32.83 65.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.357 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -73.08 -23.01 60.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.163 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.25 -11.55 11.49 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.846 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.537 HG21 HH12 ' A' ' 49' ' ' ARG . 4.4 p -83.99 68.05 9.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.204 0.526 . . . . 0.0 111.561 -179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -93.78 -1.45 55.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.66 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 64.03 2.0 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.562 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.68 145.68 29.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.574 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.541 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 44.5 t 57.04 90.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.172 0.511 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.97 -32.46 61.61 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.061 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.82 -41.03 85.88 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.019 0.438 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 93.1 mt -87.84 -37.1 16.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.058 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.95 79.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.313 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 27.6 tp -69.99 -44.12 70.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.733 -177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -63.16 -35.17 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.602 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.54 -39.34 90.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.779 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' B' ' 105' ' ' GLN . 5.3 t30 -69.94 -44.23 69.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . 0.423 ' CZ3' ' HA ' ' A' ' 32' ' ' ALA . 12.2 m0 -58.79 -46.73 86.87 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.958 0.409 . . . . 0.0 110.42 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -39.22 93.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.257 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' B' ' 102' ' ' ASN . 5.9 tt0 -55.53 -51.67 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.805 175.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 38.9 mt-10 -57.34 -47.38 81.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.31 -45.9 75.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.465 -175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 97.5 mt -73.66 -32.97 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.11 -38.05 72.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 110.967 179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.0 -24.7 30.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.949 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -62.32 -47.76 87.3 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.924 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.708 -0.663 . . . . 2.5 110.39 -178.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 54.16 43.67 30.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.367 0.603 . . . . 0.0 111.128 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.55 -4.3 9.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.683 0.754 . . . . 0.0 109.956 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -99.38 114.01 65.26 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.756 -176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -71.45 141.83 39.41 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.749 2.299 . . . . 0.0 110.997 175.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' ILE . 10.4 tpp180 -93.36 79.67 4.41 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -177.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 11.6 mm-40 -53.83 -50.95 80.91 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 18.6 Cg_endo -57.18 -29.41 83.41 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.985 1.79 . . . . 0.0 112.314 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.3 tp -85.14 -43.04 14.2 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.164 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 25' ' ' ARG . 78.8 mt -63.84 -41.09 91.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.581 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.38 73.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.8 m -78.72 -33.52 46.68 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -62.05 -43.41 98.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.531 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HA ' HD12 ' A' ' 36' ' ' LEU . 11.9 m -70.38 -39.17 76.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.715 0.293 . . . . 0.0 110.584 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 tptt -59.3 -42.85 92.28 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.8 t80 -54.47 -47.38 73.03 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.784 176.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 33' ' ' VAL . 14.6 mt -66.9 -39.29 87.39 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.62 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -79.27 67.7 5.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.044 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -122.25 -72.51 0.68 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.448 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 t -170.02 -81.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.427 173.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -76.16 -23.08 54.74 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.9 t -61.21 -29.26 45.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.611 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -81.54 -33.96 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.59 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.737 ' HA ' HE21 ' A' ' 43' ' ' GLN . 0.0 OUTLIER -90.83 17.39 7.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.275 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' HD2' ' A' ' 49' ' ' ARG . 71.8 m -95.03 155.5 38.96 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.834 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.72 141.68 91.81 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.419 2.746 . . . . 0.0 112.739 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 2.8 mm? -58.66 -38.67 78.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.095 -177.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.77 49.91 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.483 0.489 . . . . 0.0 112.057 -175.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.6 m -68.75 -39.46 80.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HD2' ' HB2' ' A' ' 44' ' ' SER . 69.8 mtp180 -68.9 -43.77 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.418 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 24.1 mtm180 -62.38 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.971 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.18 -34.54 78.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.25 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -61.56 -47.98 83.06 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.394 0.616 . . . . 0.0 110.458 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 63' ' ' ILE . 73.1 mt -68.94 -29.61 67.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.727 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -71.82 -33.7 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.028 0.442 . . . . 0.0 110.265 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 2.1 tmtp? -68.36 -25.53 65.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -72.71 -13.92 61.45 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 16.61 25.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD12 ' HB3' ' A' ' 53' ' ' LEU . 67.6 mt -90.08 149.5 22.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.682 176.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.471 ' O ' HG13 ' A' ' 63' ' ' ILE . 64.3 p -90.04 163.97 14.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.79 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -46.78 -49.69 19.43 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -62.87 -42.48 99.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.968 -176.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.15 -38.02 84.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.663 HG23 HD12 ' A' ' 53' ' ' LEU . 82.9 mt -63.67 -47.87 89.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.116 0.484 . . . . 0.0 110.195 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.542 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 t70 -62.12 -34.52 76.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.334 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 47.0 ttm -62.17 -36.57 82.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.283 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.14 -41.38 99.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.729 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 67.9 m-85 -71.73 -29.5 64.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.24 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 97.0 mt-30 -63.02 -48.06 80.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.345 173.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.39 -32.16 73.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.722 -176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.6 p -89.44 -13.85 36.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.124 0.488 . . . . 0.0 110.82 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.16 35.57 52.92 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.421 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.7 p -117.07 37.24 3.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.036 0.418 . . . . 0.0 111.251 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.49 30.78 2.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.22 11.89 36.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.45 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -83.29 74.32 10.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.146 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.632 179.509 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 14.3 p -65.42 -29.08 46.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 120.627 0.251 . . . . 0.0 111.549 -177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.96 -37.13 81.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.838 0.352 . . . . 0.0 110.988 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.42 -41.46 80.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.293 0.568 . . . . 0.0 110.147 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.0 mt -61.51 -48.56 80.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.534 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.96 88.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.113 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 50.1 tp -63.32 -47.65 81.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.623 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -64.93 -40.43 95.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.955 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.17 -39.32 93.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.039 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' B' ' 106' ' ' GLU . 48.4 t30 -58.75 -46.05 88.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.472 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 11.6 m0 -56.54 -52.73 63.68 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 177.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.3 80.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.734 -178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . 0.437 HE21 ' HB3' ' B' ' 105' ' ' GLN . 1.0 OUTLIER -61.66 -41.43 97.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.433 178.134 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' B' ' 102' ' ' ASN . 50.3 mt-10 -62.54 -45.18 94.16 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.78 -48.98 79.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.625 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.13 -32.97 74.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.25 -26.01 68.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.741 0.305 . . . . 0.0 111.276 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.87 -33.8 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.951 0.405 . . . . 0.0 111.051 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.88 -36.42 13.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.371 -176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.803 -0.618 . . . . 2.5 110.598 -176.518 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HB3' HG13 ' A' ' 22' ' ' VAL . 7.6 tp10 . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.1 t30 72.34 51.11 0.19 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 122.029 0.919 . . . . 0.0 108.936 -171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.641 HG13 ' HB3' ' A' ' 20' ' ' GLU . 27.7 m -74.44 172.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.458 -1.246 . . . . 0.0 111.305 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' O ' HD12 ' A' ' 23' ' ' LEU . 4.0 pp -85.56 136.05 37.68 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.13 138.37 85.6 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.845 2.363 . . . . 0.0 112.91 -176.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -83.82 86.34 7.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.574 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.3 mt-10 -56.54 -46.49 99.82 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -173.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 11.9 Cg_endo -57.56 -34.24 97.77 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.783 1.655 . . . . 0.0 112.549 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.8 tp -82.65 -44.83 15.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.624 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.6 mt -64.77 -29.42 47.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.8 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -38.82 74.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.2 m -72.7 -41.26 65.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.818 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -59.11 -45.89 89.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.955 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 34' ' ' LYS . 34.0 m -67.13 -42.33 88.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.258 -179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' NZ ' ' A' ' 34' ' ' LYS . 9.2 mtpm? -64.53 -32.8 74.6 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.478 . . . . 0.0 109.854 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.505 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 20.9 t80 -57.07 -50.62 72.21 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.881 174.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD22 ' HD2' ' A' ' 49' ' ' ARG . 11.3 mt -66.49 -38.5 87.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.865 178.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -80.21 60.33 3.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.429 176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' HB2' ' A' ' 39' ' ' SER . 9.5 t-20 -105.32 -67.92 0.89 Allowed 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 6.4 t 176.69 -77.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.27 -21.3 46.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.459 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.454 ' HA ' ' OG ' ' A' ' 44' ' ' SER . 55.6 t -65.13 -19.37 25.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.026 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -74.7 -35.28 62.73 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.841 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -93.33 11.61 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.262 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.454 ' OG ' ' HA ' ' A' ' 41' ' ' VAL . 49.9 m -82.15 145.87 53.66 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-O 120.528 0.204 . . . . 0.0 110.485 -176.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 75.1 Cg_exo -50.03 127.38 19.32 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.443 2.762 . . . . 0.0 112.694 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 50.5 tp -57.73 -34.86 69.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.704 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.79 -52.2 64.1 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.752 0.31 . . . . 0.0 111.314 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.9 m -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.159 0.504 . . . . 0.0 110.412 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.605 ' HD2' HD22 ' A' ' 36' ' ' LEU . 44.0 ttp180 -65.52 -42.41 92.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.794 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HG3' HD12 ' A' ' 63' ' ' ILE . 21.4 ttt180 -61.18 -46.18 91.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.484 178.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.79 83.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.471 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 45.9 t80 -67.34 -45.71 75.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.319 0.581 . . . . 0.0 109.923 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD11 ' HB1' ' A' ' 32' ' ' ALA . 11.4 tp -68.76 -37.08 79.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.193 -175.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.62 -35.49 77.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.178 0.513 . . . . 0.0 109.712 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -67.16 -23.11 65.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.651 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.873 ' HE2' ' HA ' ' A' ' 56' ' ' LYS . 9.8 mmpt? -69.64 -10.54 58.66 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.915 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.22 6.07 45.58 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.248 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD13 ' HB2' ' A' ' 56' ' ' LYS . 8.2 mp -82.04 143.77 31.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.048 0.452 . . . . 0.0 110.386 178.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.2 m -82.25 162.13 22.44 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.69 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 63' ' ' ILE . 30.8 t70 -54.4 -44.36 72.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 118.11 0.413 . . . . 0.0 111.658 -175.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.08 -40.49 89.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.02 0.438 . . . . 0.0 111.102 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.67 -38.94 80.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.617 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.489 HD12 ' HG3' ' A' ' 50' ' ' ARG . 28.7 pt -69.77 -37.95 74.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.479 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.451 ' O ' ' HG3' ' A' ' 68' ' ' GLN . 4.2 m-20 -58.95 -41.24 86.95 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.317 0.58 . . . . 0.0 109.754 173.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.567 ' O ' ' HG2' ' A' ' 69' ' ' GLN . 45.9 ttm -67.1 -40.48 86.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.389 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.97 98.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.258 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -62.74 -38.74 91.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.396 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 64' ' ' ASP . 51.3 mt-30 -65.71 -41.84 91.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.537 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 65' ' ' MET . 15.9 mm100 -72.69 -24.73 61.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.324 -176.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.2 p -88.72 -14.53 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 0.0 111.019 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.28 17.65 42.1 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.214 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.5 p -107.88 64.77 0.63 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.137 0.494 . . . . 0.0 110.136 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.35 -59.98 3.96 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.999 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.69 171.89 19.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.818 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -144.46 113.78 7.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.264 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.95 -70.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.724 0.262 . . . . 0.0 110.851 -177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.0 -31.59 68.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.238 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -51.28 -55.54 17.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.398 0.618 . . . . 0.0 110.72 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -78.99 -45.19 20.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.71 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.26 81.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.243 -174.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -76.56 -51.95 10.67 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.364 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -61.73 -42.6 99.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.896 0.379 . . . . 0.0 111.294 -175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.37 -27.8 60.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -69.14 -42.23 76.26 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . 21.0 m0 -59.32 -44.46 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.545 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.6 97.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.627 178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -57.26 -51.77 68.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.478 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -58.93 -46.28 88.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -60.32 -52.07 66.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.343 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.02 -35.21 79.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.253 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -75.23 -16.06 60.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.12 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.9 -21.01 32.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.956 178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.5 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.543 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.484 -0.769 . . . . 2.5 109.867 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 t30 57.11 59.98 3.18 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 -171.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.09 133.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.278 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD12 ' HD2' ' A' ' 24' ' ' PRO . 49.9 tp -90.45 126.52 56.13 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.147 174.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.707 ' HD2' HD12 ' A' ' 23' ' ' LEU . 9.9 Cg_endo -51.94 126.97 21.6 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.669 2.246 . . . . 0.0 111.081 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' HB3' HD23 ' A' ' 28' ' ' LEU . 98.4 mtt180 -94.65 79.15 3.77 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.572 0.701 . . . . 0.0 110.094 -170.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 42.9 mt-10 -56.86 -49.14 95.58 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.244 -173.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.9 Cg_endo -55.16 -31.11 74.28 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 121.996 1.797 . . . . 0.0 112.545 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 25' ' ' ARG . 3.7 mm? -80.85 -46.85 14.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.345 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 33' ' ' VAL . 76.1 mt -63.35 -37.17 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.973 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . -62.76 -35.06 78.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.056 0.455 . . . . 0.0 110.574 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -76.43 -35.93 58.26 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' A' ' 36' ' ' LEU . . . -63.35 -40.83 98.37 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.841 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 66' ' ' ALA . 24.5 m -67.02 -41.82 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.713 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 81.7 mttt -62.63 -37.4 86.17 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.3 t80 -59.33 -49.89 76.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.333 176.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 32' ' ' ALA . 65.9 mt -64.03 -32.25 73.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.815 0.341 . . . . 0.0 110.772 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 28.2 mt-30 -77.6 73.14 4.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.43 0.633 . . . . 0.0 111.217 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.621 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 37.1 m-80 -147.07 154.69 41.47 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 m -50.86 -77.22 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -169.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -77.88 -18.16 56.5 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 119.937 -0.705 . . . . 0.0 111.2 -176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' ' HB2' ' A' ' 38' ' ' ASN . 61.1 t -70.15 -30.88 45.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.995 0.426 . . . . 0.0 110.723 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -76.98 -37.26 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 0.0 110.414 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -91.18 24.67 2.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.92 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' A' ' 49' ' ' ARG . 46.7 t -96.08 144.74 28.34 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.58 137.43 49.4 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.902 2.401 . . . . 0.0 111.658 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 9.6 mp -64.65 -26.3 68.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.371 -173.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.66 -48.33 66.56 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.224 0.328 . . . . 0.0 111.794 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.9 p -74.81 -41.15 60.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.019 0.438 . . . . 0.0 111.223 -177.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD2' ' HB3' ' A' ' 44' ' ' SER . 61.0 mtp180 -62.22 -45.74 92.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.462 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 46' ' ' LEU . 47.6 mtp180 -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.338 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.46 -36.41 84.08 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.79 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -66.0 -42.92 89.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.086 0.47 . . . . 0.0 110.596 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 85.8 mt -71.68 -31.78 67.14 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.768 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.633 ' HD2' ' O ' ' A' ' 58' ' ' LEU . 26.4 tptp -66.03 -43.0 88.86 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 174.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -63.24 -24.11 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.063 -0.972 . . . . 0.0 110.82 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.89 -7.84 56.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.984 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 102.99 10.59 36.61 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.31 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.633 ' O ' ' HD2' ' A' ' 54' ' ' LYS . 88.2 mt -93.93 167.69 11.45 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' HG2' ' A' ' 62' ' ' GLU . 13.7 t -114.12 171.7 7.45 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HA ' HG12 ' A' ' 63' ' ' ILE . 3.3 p30 -53.73 -37.1 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -173.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.47 -50.42 59.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.628 0.251 . . . . 0.0 111.064 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.841 ' HG2' HG22 ' A' ' 59' ' ' THR . 11.2 mm-40 -59.1 -42.53 90.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.273 -178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG12 ' HA ' ' A' ' 60' ' ' ASP . 27.3 pt -69.86 -39.92 78.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.991 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 68' ' ' GLN . 24.7 t70 -61.58 -37.07 82.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.137 178.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.8 ttt -64.15 -33.03 74.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.188 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.549 ' HA ' HG12 ' A' ' 33' ' ' VAL . . . -63.86 -42.88 97.44 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.044 178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 97.6 m-85 -66.05 -37.66 86.41 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.905 177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 64' ' ' ASP . 33.1 mm-40 -63.76 -49.28 73.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.079 0.466 . . . . 0.0 110.642 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -75.94 -24.91 55.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.2 p -75.23 -22.36 57.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.905 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.79 17.2 57.0 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.134 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 13.4 m -127.31 70.24 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.234 0.54 . . . . 0.0 110.225 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.69 -44.5 0.89 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.86 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.69 93.83 9.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.421 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -108.24 55.21 0.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.487 0.661 . . . . 0.0 109.755 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.692 -176.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 67.0 t -56.32 -49.69 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.63 0.252 . . . . 0.0 111.213 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.495 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -64.83 -42.23 95.11 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.245 0.545 . . . . 0.0 110.851 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.01 -44.08 77.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.638 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -35.11 79.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.888 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 52.2 tp -66.74 -51.49 55.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.01 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -57.25 -37.86 72.96 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.267 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -67.46 -38.12 83.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -64.71 -36.38 84.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.413 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -63.68 -51.5 64.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.327 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.5 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.607 -177.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -59.07 -46.89 87.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.548 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -62.27 -40.72 97.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.379 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.3 -39.7 83.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.946 0.403 . . . . 0.0 110.744 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.06 -45.72 17.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.05 92.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.82 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.62 -13.4 54.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.895 0.378 . . . . 0.0 110.742 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.77 -55.21 3.03 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.459 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.61 -0.71 . . . . 2.5 109.963 177.791 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 121.111 0.482 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -78.43 97.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.851 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.37 88.84 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.624 0.726 . . . . 0.0 111.464 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.662 HD12 ' HD2' ' A' ' 24' ' ' PRO . 55.7 tp -96.66 118.5 65.09 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.607 178.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.662 ' HD2' HD12 ' A' ' 23' ' ' LEU . 10.9 Cg_endo -53.89 150.22 30.99 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.039 2.492 . . . . 0.0 112.228 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.667 ' HB3' HD13 ' A' ' 28' ' ' LEU . 4.5 mmp_? -90.28 88.35 7.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.054 -174.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 27' ' ' PRO . 45.1 mt-10 -56.26 -46.15 99.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 26' ' ' GLU . 10.1 Cg_endo -54.8 -31.96 74.72 Favored 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 122.027 1.818 . . . . 0.0 112.472 175.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 25' ' ' ARG . 10.1 mp -81.47 -45.41 16.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.386 -179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.88 -38.49 82.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.064 0.459 . . . . 0.0 110.579 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -63.74 -31.65 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.807 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.3 m -78.97 -33.57 45.07 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 35' ' ' PHE . . . -62.7 -41.82 99.33 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.696 177.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 37' ' ' GLN . 21.5 m -67.37 -42.21 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.531 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' ALA . 67.6 mttm -63.85 -34.64 78.39 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.126 0.489 . . . . 0.0 109.814 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 44.2 t80 -50.93 -49.26 60.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.616 174.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 67' ' ' PHE . 8.0 mp -71.29 -40.99 70.53 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 33' ' ' VAL . 24.0 mt-30 -69.36 -11.66 61.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -43.08 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.297 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -163.31 -80.47 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 120.779 0.323 . . . . 0.0 111.098 173.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -83.83 -17.66 40.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 -173.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 25.0 t -61.84 -19.78 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.983 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -80.29 -28.68 38.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.789 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -87.42 -2.27 58.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.164 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.7 m -84.86 155.93 61.23 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.696 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.43 135.85 32.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.379 2.72 . . . . 0.0 112.822 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 50' ' ' ARG . 54.3 tp -60.95 -40.71 94.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.252 -177.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -46.49 82.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.578 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 m -64.75 -36.19 83.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.996 0.427 . . . . 0.0 110.779 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 42.4 mtm180 -68.83 -45.94 69.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.618 ' HG2' ' CE1' ' A' ' 67' ' ' PHE . 43.4 mtm180 -56.25 -51.24 68.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.12 -38.94 80.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.332 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.7 -47.15 82.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.021 0.439 . . . . 0.0 110.519 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 58' ' ' LEU . 81.3 mt -69.2 -36.75 77.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -176.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.11 -39.03 75.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 109.855 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -64.75 -23.22 67.18 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.4 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -78.59 -3.52 44.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.781 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.93 5.15 50.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.701 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 28' ' ' LEU . 92.8 mt -82.31 144.02 30.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.181 178.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -84.03 164.21 19.43 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.72 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.562 ' O ' HG12 ' A' ' 63' ' ' ILE . 5.7 t70 -54.05 -46.21 71.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.25 -37.89 87.17 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.065 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.29 -37.82 86.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.671 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 60' ' ' ASP . 29.4 pt -69.94 -39.07 77.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.205 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.44 -35.19 79.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.096 0.474 . . . . 0.0 110.408 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -68.23 -39.47 82.32 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -49.99 75.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.679 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 50' ' ' ARG . 37.7 m-85 -62.82 -36.26 82.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.976 0.417 . . . . 0.0 110.702 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -50.68 69.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.592 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -73.0 -25.05 60.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.322 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.3 m -72.71 -21.31 61.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.726 0.298 . . . . 0.0 111.134 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.38 41.15 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.677 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.9 p -92.99 -14.18 27.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.751 0.31 . . . . 0.0 111.076 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 59.8 -95.86 0.06 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.355 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -178.58 -179.43 0.65 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 122.653 0.381 . . . . 0.0 110.04 -178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -144.69 89.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.801 174.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.887 -177.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 54.5 t -96.83 -77.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.06 -156.06 0.15 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.913 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.93 -39.81 90.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.944 -176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.92 -48.04 83.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.276 -172.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.97 -39.68 69.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.035 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.52 -45.18 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' SER . . . . . . . . . . . . . 19.5 m -60.35 -38.73 84.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.165 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -76.76 -32.59 57.82 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.819 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -64.91 -40.85 95.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.973 0.416 . . . . 0.0 110.811 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -66.34 -45.81 78.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.35 -34.02 76.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.061 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -53.95 -53.74 48.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.912 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -59.83 -44.09 94.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.936 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -68.59 -40.35 80.54 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.627 -175.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 96.4 mt -85.7 -54.67 4.39 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.85 -34.0 75.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.792 -173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.75 -6.45 27.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.782 0.325 . . . . 0.0 111.215 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -100.26 -43.86 2.29 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.656 -178.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.925 -0.56 . . . . 2.5 109.979 -178.364 . . . . . . . . 0 0 . 1 stop_ save_