data_1z1m_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 1z1m _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 26' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.836 HG13 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.836 ' HD3' HG13 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.624 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.518 ' O ' HD22 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.834 HD23 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HZ1' ' HB3' ' A' ' 51' ' ' LYS . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HA ' HD22 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.706 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.685 ' HD1' HD21 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.805 HG23 HG23 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HG2' ' HG1' ' A' ' 63' ' ' THR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.534 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.486 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.651 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.834 HD22 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.579 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.651 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.851 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.508 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.667 ' HA ' HG23 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.742 ' HB3' ' HZ3' ' A' ' 98' ' ' LYS . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.86 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.574 ' CD1' HG22 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.524 HG23 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.86 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.439 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.474 HG22 HG23 ' A' ' 28' ' ' VAL . 2.1 m . . . . . 0 CA--C 1.517 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.692 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.759 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 35' ' ' LEU . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.779 HD22 ' HE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' O ' HD21 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 37' ' ' LEU . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HZ1' ' HG2' ' A' ' 52' ' ' GLU . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.779 ' HE1' HD22 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.759 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.678 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.587 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.678 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 7.6 mm100 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.688 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.734 HG22 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.688 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.562 ' N ' HG21 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.669 HD11 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' LYS . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.654 HE21 ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' HH ' ' A' ' 60' ' ' TYR . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.543 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.656 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.497 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.752 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.725 ' HZ1' ' HB2' ' A' ' 98' ' ' LYS . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.845 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.845 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.5 ' O ' HG21 ' A' ' 49' ' ' THR . 54.5 m . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.882 HD12 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD23 ' HE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' N ' ' HB1' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB1' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.882 ' HB ' HD12 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.743 ' HE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.746 HG23 HD22 ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.417 ' HA ' ' OH ' ' A' ' 104' ' ' TYR . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.753 HG13 ' HH ' ' A' ' 100' ' ' TYR . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.642 ' HB3' HG12 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' HH ' HD13 ' A' ' 81' ' ' LEU . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HZ2' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 38.2 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 75.8 m80 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.5 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 ' HH ' ' A' ' 60' ' ' TYR . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.691 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.75 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.656 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.715 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.721 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.505 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.723 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HH ' HG13 ' A' ' 53' ' ' VAL . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.75 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.46 ' HB ' ' HG3' ' A' ' 50' ' ' MET . 2.0 m . . . . . 0 C--O 1.232 0.172 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.57 HG11 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.57 ' HD3' HG11 ' A' ' 28' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 33' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 57' ' ' LEU . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.576 ' HG2' ' HH ' ' A' ' 104' ' ' TYR . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.63 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.462 ' HD1' HD21 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.703 HG22 HG13 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 65' ' ' ARG . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.51 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.743 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' HB3' ' HD1' ' A' ' 73' ' ' HIS . 29.7 mm-40 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.684 ' HA ' HG22 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.544 ' HA ' HD13 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.516 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.516 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.777 HD13 HD11 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.756 ' HE2' ' HE2' ' A' ' 102' ' ' MET . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.626 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HB3' HG22 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.577 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.623 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.699 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.564 ' H ' ' HD2' ' A' ' 96' ' ' HIS . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.746 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.551 ' HH ' ' HG ' ' A' ' 54' ' ' LEU . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.756 ' HE2' ' HE2' ' A' ' 86' ' ' PHE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.576 ' HH ' ' HG2' ' A' ' 50' ' ' MET . 81.4 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.747 HG22 HG11 ' A' ' 28' ' ' VAL . 12.2 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD21 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' HG23 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' H ' HD11 ' A' ' 35' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.785 HD21 ' HE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.725 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.506 HG21 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.785 ' HE1' HD21 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.593 ' O ' HG11 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.69 ' H ' HG21 ' A' ' 26' ' ' THR . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.593 HG11 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 5.9 mm100 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HG12 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 64' ' ' LYS . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.662 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.746 HG12 HG22 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.623 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.604 ' OD1' ' HB3' ' A' ' 77' ' ' CYS . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.759 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.519 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.764 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.547 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.623 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.832 ' HB3' HG23 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.662 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.507 ' HG2' ' HG ' ' A' ' 92' ' ' SER . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.737 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.737 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.792 HG23 HG11 ' A' ' 28' ' ' VAL . 4.4 t . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.792 HG11 HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HZ3' ' HB2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.692 HD21 HD21 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.774 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.873 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.588 ' HZ2' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD2' HG21 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.433 HG21 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.626 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.569 ' HE2' ' HB3' ' A' ' 100' ' ' TYR . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.588 ' HG3' ' HZ2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.486 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.742 ' HG2' ' HH ' ' A' ' 67' ' ' TYR . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 59' ' ' GLN . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.742 ' HH ' ' HG2' ' A' ' 62' ' ' MET . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 24.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 14.8 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.807 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.9 p80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.828 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.763 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.711 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 91' ' ' PHE . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.494 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.692 HD21 HD21 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HE1' ' A' ' 102' ' ' MET . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.494 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.653 HG21 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.763 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.68 ' HE1' HG12 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.68 HG12 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.807 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.435 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HG3' ' HE2' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.569 ' HB3' ' HE2' ' A' ' 50' ' ' MET . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.623 ' HE2' ' HG3' ' A' ' 98' ' ' LYS . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' CE2' HG23 ' A' ' 28' ' ' VAL . 52.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.593 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.6 t . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.594 HG13 ' HD3' ' A' ' 30' ' ' PRO . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.815 HD13 HD21 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.886 ' HB3' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 30' ' ' PRO . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.461 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.718 ' HE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.683 ' H ' HG23 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.666 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.45 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.864 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.545 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 25.0 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.605 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.6 p80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.403 HG21 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.864 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.737 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.465 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.484 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.626 ' HB3' HG21 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.737 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.768 ' HA ' HG23 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.768 HG23 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.666 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.715 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.717 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.37 0.128 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.746 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.726 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' C ' HD21 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.883 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 82' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.885 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.883 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' HG2' ' A' ' 29' ' ' ARG . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.665 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.822 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.615 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.885 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.565 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.769 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD23 ' OD1' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.802 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.666 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.653 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.0 OUTLIER -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.511 ' OD1' HD23 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.654 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.513 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.666 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.62 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.65 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.472 HG11 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.515 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG21 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' ' HG3' ' A' ' 97' ' ' ARG . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.627 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.721 ' HE2' ' HE2' ' A' ' 86' ' ' PHE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.593 HD11 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.0 m . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 38' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 38' ' ' LEU . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.845 ' HE2' HD22 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.541 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.638 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD22 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.774 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.827 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.827 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.602 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' OH ' ' A' ' 60' ' ' TYR . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.666 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.852 ' HB2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.852 HG12 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.662 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.705 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.774 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.573 ' O ' HG13 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 92' ' ' SER . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.634 ' O ' HG23 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.83 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CD1' HG22 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.83 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.432 ' CD2' ' HE2' ' A' ' 50' ' ' MET . 96.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 28' ' ' VAL . 52.9 m . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' N ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.477 ' NE ' HG21 ' A' ' 47' ' ' THR . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.715 HD23 ' HE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' HD13 ' A' ' 38' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.704 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.561 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.477 HG21 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.715 ' HE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.547 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.65 ' HG ' ' HH ' ' A' ' 104' ' ' TYR . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.658 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.643 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.717 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.792 ' HA2' HD13 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CD2' HD23 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.792 HD13 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.824 HG23 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 18.5 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.541 ' HA ' HG13 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.729 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 90' ' ' SER . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.467 ' OD2' ' HG ' ' A' ' 66' ' ' LEU . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.541 ' CB ' HD22 ' A' ' 37' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.717 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' OD1' HD13 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.71 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.864 ' HA ' HG23 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.722 ' HB3' ' HZ3' ' A' ' 98' ' ' LYS . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.87 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.517 ' CD1' HG22 ' A' ' 99' ' ' ILE . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HH ' ' HG ' ' A' ' 54' ' ' LEU . 74.2 m-85 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 28' ' ' VAL . 6.3 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.753 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.654 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HA ' HG11 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.661 HG11 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.655 ' OH ' ' HB2' ' A' ' 38' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.753 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.656 ' H ' HG21 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.621 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.591 ' O ' HG23 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.619 HG22 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.524 HD21 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.779 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 24.8 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.602 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.619 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.492 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.524 ' OD2' HD21 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.702 HD22 HD23 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.912 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.912 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.616 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.644 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.726 ' HB3' HG22 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.687 ' HA ' HG23 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.793 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.621 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.793 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 28' ' ' VAL . 88.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.583 HG21 ' HB ' ' A' ' 28' ' ' VAL . 19.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.838 HG23 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD3' HG23 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' H ' HD21 ' A' ' 35' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.716 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HD11 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.751 HD12 HG11 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG3' ' HH ' ' A' ' 48' ' ' TYR . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.699 HG21 ' HA ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HZ2' ' HG2' ' A' ' 52' ' ' GLU . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.475 ' HE3' ' OG1' ' A' ' 26' ' ' THR . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.751 HG11 HD12 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.616 HD12 HD23 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.694 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.615 HG12 ' O ' ' A' ' 57' ' ' LEU . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.755 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.661 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.532 ' O ' ' HA ' ' A' ' 92' ' ' SER . 70.3 m80 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.415 ' H ' ' C ' ' A' ' 72' ' ' GLN . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.755 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.449 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.687 HD22 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' HG11 ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.643 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.596 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' ILE . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.647 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.445 ' CG ' ' HE1' ' A' ' 50' ' ' MET . 95.9 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.515 HG21 ' N ' ' A' ' 28' ' ' VAL . 44.3 m . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 120.76 0.314 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 33' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.721 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.006 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.81 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.465 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 HG23 HD12 ' A' ' 27' ' ' LEU . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 1.006 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.66 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' HD11 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.81 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.549 ' HA ' HG23 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.691 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' HB2' ' HD1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.536 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD1' HD13 ' A' ' 66' ' ' LEU . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.745 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.605 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.577 ' O ' HG21 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.607 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.661 ' HA ' HG21 ' A' ' 99' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.729 ' HZ3' ' HB2' ' A' ' 98' ' ' LYS . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.934 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.934 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.584 HG21 HD11 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.429 ' OH ' HG12 ' A' ' 53' ' ' VAL . 80.2 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.823 ' H ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.857 ' HA ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.693 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.693 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.707 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.642 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.578 HD13 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB2' ' HH ' ' A' ' 48' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.752 ' HH ' ' HB2' ' A' ' 43' ' ' ALA . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.873 HG22 ' HG3' ' A' ' 50' ' ' MET . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.873 ' HG3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.871 HD13 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.54 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.649 HG12 HD12 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.633 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.921 HD22 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.921 HD12 HD22 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.618 ' HB3' HG12 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.641 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.675 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.791 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.678 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.648 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.538 ' HH ' HG12 ' A' ' 53' ' ' VAL . 94.2 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.763 ' H ' ' HG2' ' A' ' 50' ' ' MET . 29.1 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.774 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' HG23 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' HD22 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HD23 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.833 HD12 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HG3' ' HH ' ' A' ' 48' ' ' TYR . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.796 HG23 ' HG3' ' A' ' 50' ' ' MET . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.796 ' HG3' HG23 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' O ' ' HD1' ' A' ' 55' ' ' PHE . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 49' ' ' THR . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.64 HD21 HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.6 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.534 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.614 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.818 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.563 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASP . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 26.6 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG22 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.818 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.579 ' SG ' HD13 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.571 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.833 HD22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.515 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.732 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.732 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 97' ' ' ARG . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.756 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 95' ' ' GLU . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.756 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD1' HD13 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.66 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.814 ' H ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' CG ' HD13 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.747 ' HD3' HG21 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.885 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.522 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.66 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' HD11 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.659 ' HA ' ' HG1' ' A' ' 26' ' ' THR . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.819 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.762 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.547 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 37' ' ' LEU . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.679 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.707 HG22 HG23 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.574 ' HE1' ' NE2' ' A' ' 72' ' ' GLN . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.679 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.663 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.574 ' NE2' ' HE1' ' A' ' 62' ' ' MET . 9.9 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.637 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.707 HG23 HG22 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.648 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.893 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.886 HD22 HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.458 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.644 ' HE2' ' HE1' ' A' ' 102' ' ' MET . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.648 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.617 ' HB3' HG23 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.429 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.915 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.624 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.878 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 28' ' ' VAL . 5.4 m . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.712 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.699 HD12 HD22 ' A' ' 57' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.887 HD21 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.712 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.551 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.526 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HZ1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CE2' HD22 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.628 ' H ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.887 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.699 HD22 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.682 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.709 ' HH ' HD23 ' A' ' 81' ' ' LEU . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.752 HG21 HG13 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.657 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.83 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.529 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.621 ' H ' HE21 ' A' ' 72' ' ' GLN . 0.0 OUTLIER -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.668 ' O ' ' HA ' ' A' ' 92' ' ' SER . 7.5 p80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.83 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' CG ' HD23 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.709 HD23 ' HH ' ' A' ' 60' ' ' TYR . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.786 ' HB3' HG22 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.683 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.668 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.712 ' HA ' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.751 ' HA ' HD11 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.759 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.549 HG21 ' O ' ' A' ' 98' ' ' LYS . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.759 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.458 ' OH ' ' HB ' ' A' ' 53' ' ' VAL . 97.1 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.723 HG22 HG13 ' A' ' 28' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.086 0.47 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HD3' HG21 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' HA ' HD22 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HZ2' ' HG3' ' A' ' 52' ' ' GLU . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HG1' ' HB2' ' A' ' 52' ' ' GLU . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.563 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.528 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.669 ' HG ' HD11 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.524 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.727 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD21 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.608 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD1' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.791 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.844 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.844 HG21 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.745 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.608 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.461 HG13 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.783 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.553 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.541 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.783 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.426 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.537 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.714 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG13 ' HG3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' CD1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.694 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.714 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.634 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.569 ' O ' HG13 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.59 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.691 HG23 HD12 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.758 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 37' ' ' LEU . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 56' ' ' TYR . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.512 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.571 HG23 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.571 ' HG2' HG23 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.571 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.689 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 16.1 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.552 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.535 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.764 HD12 ' HG ' ' A' ' 37' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.504 ' HZ ' HD13 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.692 HG11 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.692 ' HD2' HG11 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.706 ' HA ' HG21 ' A' ' 99' ' ' ILE . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.951 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.562 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.526 HG21 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.951 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' A' ' 49' ' ' THR . 59.2 m . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 120.312 0.101 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.856 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.783 HG23 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HD3' HG22 ' A' ' 28' ' ' VAL . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.856 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.652 HG21 HD23 ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.757 HG23 ' HH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.622 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.664 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.844 HG21 HG22 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.541 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 20.9 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.922 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.844 HG22 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.523 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.719 ' HA3' HD21 ' A' ' 85' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.688 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 91' ' ' PHE . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.569 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.502 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.702 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 1.022 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' HD13 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.516 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 1.022 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.783 ' HE2' HG23 ' A' ' 28' ' ' VAL . 93.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 28' ' ' VAL . 12.1 t . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.804 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.732 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ1' ' HG3' ' A' ' 52' ' ' GLU . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.732 ' OH ' ' HG3' ' A' ' 39' ' ' LYS . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.455 ' H ' HG21 ' A' ' 26' ' ' THR . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.648 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' CD2' HD21 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.708 HG21 HG13 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.578 HD23 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.484 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.606 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.606 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.708 HG13 HG21 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.56 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.717 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD23 ' A' ' 66' ' ' LEU . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.687 HD12 HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.777 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' OD1' HD22 ' A' ' 34' ' ' LEU . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.686 ' HB3' HG21 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.717 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.659 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.402 ' HG3' ' HG3' ' A' ' 98' ' ' LYS . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.834 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CD1' HG21 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.834 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.431 ' HE1' HG23 ' A' ' 28' ' ' VAL . 64.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' CG1' ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.44 ' C ' HD12 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.698 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.74 ' HG2' HD21 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.935 HD23 HD21 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' H ' ' CG2' ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.798 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' A' ' 47' ' ' THR . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 46' ' ' ASP . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' HG11 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.623 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.682 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.596 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.791 HG22 HG22 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.749 HG21 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.749 ' HG2' HG21 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.645 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 4.4 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.518 ' HA ' HG22 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.791 HG22 HG22 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.731 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD21 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.935 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.561 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' HG11 ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.731 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.845 ' HA ' HG23 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.694 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.694 ' H ' ' HG3' ' A' ' 97' ' ' ARG . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 1.028 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.673 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 1.028 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.434 ' CE1' ' HE1' ' A' ' 50' ' ' MET . 55.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.565 HG21 ' N ' ' A' ' 27' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.752 ' HG ' HG21 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.678 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.849 HD12 HD13 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.627 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.774 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.504 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' H ' ' HB2' ' A' ' 45' ' ' LYS . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.664 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.694 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.579 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.536 HG21 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' N ' HG21 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD23 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.921 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.519 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.921 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.647 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.57 ' OD1' HD23 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.56 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD13 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.627 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.691 HG22 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.647 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.643 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.833 ' HZ ' HD13 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.674 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.476 ' CD1' HD13 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.505 HG21 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 98' ' ' LYS . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.498 ' HE2' HG13 ' A' ' 28' ' ' VAL . 89.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.891 HG13 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.891 ' HD3' HG13 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.795 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.854 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.854 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD21 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HZ2' ' HG2' ' A' ' 52' ' ' GLU . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.803 ' HE2' HD21 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.476 HG22 HD21 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.63 ' HE1' ' HB ' ' A' ' 103' ' ' ILE . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.635 HG13 HD13 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.668 ' HA ' ' HH ' ' A' ' 100' ' ' TYR . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HB2' HG23 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.419 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.526 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 73' ' ' HIS . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.648 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.64 HD23 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.458 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.64 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.628 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.542 HG12 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.855 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.668 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.855 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.63 ' HB ' ' HE1' ' A' ' 50' ' ' MET . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.519 ' HD2' ' HE2' ' A' ' 50' ' ' MET . 12.8 p90 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.1 p -146.71 -16.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -98.11 12.9 32.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -96.43 104.97 16.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -131.21 -24.13 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.4 ttp -145.82 11.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t 61.51 176.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.05 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.551 HG22 ' H ' ' A' ' 10' ' ' THR . 5.8 p -135.26 128.39 18.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.9 24.69 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.666 2.244 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.551 ' H ' HG22 ' A' ' 8' ' ' VAL . 60.9 m -129.13 106.19 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 56.62 33.1 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.84 16.58 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.7 t -75.66 -67.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 HG23 ' H ' ' A' ' 17' ' ' SER . 41.3 m -128.39 144.34 51.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -88.05 21.76 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.49 ' H ' HG23 ' A' ' 15' ' ' THR . 57.9 m -91.14 167.86 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' A' ' 97' ' ' ARG . 23.0 tp60 -162.87 -56.32 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.534 0.683 . . . . 0.0 110.042 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.518 HG12 ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -114.92 139.63 24.48 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.909 -148.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HB3' ' HB2' ' A' ' 24' ' ' GLN . 23.1 Cg_exo -66.16 96.2 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.096 2.53 . . . . 0.0 112.129 -174.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB2' ' HB2' ' A' ' 54' ' ' LEU . . . -163.51 18.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.742 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HG ' ' H ' ' A' ' 23' ' ' GLU . 79.6 p -176.7 -53.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 -175.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' H ' ' HG ' ' A' ' 22' ' ' SER . 44.6 mt-10 -74.75 -47.83 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.403 171.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . 48.4 mt-30 -108.77 85.31 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.346 171.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' HB ' ' A' ' 26' ' ' THR . 33.0 tt0 -78.04 -79.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.404 -166.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.9 m 85.0 126.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.439 0.462 . . . . 0.0 110.576 -173.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.836 HG13 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.836 ' HD3' HG13 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.624 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.518 ' O ' HD22 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.834 HD23 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.556 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' HZ1' ' HB3' ' A' ' 51' ' ' LYS . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.672 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.76 ' HA ' HD22 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.706 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.685 ' HD1' HD21 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.805 HG23 HG23 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HG2' ' HG1' ' A' ' 63' ' ' THR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.47 HD21 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.534 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.486 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.53 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.805 HG23 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.651 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.551 ' HG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.47 ' OD1' HD21 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.579 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.834 HD22 HD23 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.579 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.666 HD12 HD11 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.551 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.651 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.851 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.543 HG11 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.667 ' HA ' HG23 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.511 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.742 ' HB3' ' HZ3' ' A' ' 98' ' ' LYS . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.86 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.574 ' CD1' HG22 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.524 HG23 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.86 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.439 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 -85.78 86.55 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -68.19 -72.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.125 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.51 -81.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD23 ' C ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -172.42 146.71 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 30' ' ' PRO . 4.0 p -176.15 111.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.434 HG12 HG23 ' A' ' 26' ' ' THR . 29.5 m -142.91 -174.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -55.35 144.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.4 -70.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.017 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.42 93.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 148.33 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -131.74 176.64 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.0 p -136.21 146.58 46.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -87.56 40.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.93 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -93.12 92.13 7.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -105.18 -22.37 13.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -92.81 136.49 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.6 m -109.02 94.49 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -160.3 129.07 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.36 48.11 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -105.64 137.82 42.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 8' ' ' VAL . 2.8 p -147.49 94.9 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.42 -178.27 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m 66.23 129.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.319 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.91 133.0 54.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.94 -134.67 0.37 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.58 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.18 -173.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 111.218 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.77 -72.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -94.76 149.17 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -135.26 149.91 49.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t 61.97 173.45 0.13 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.017 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.914 ' HG3' HG22 ' A' ' 19' ' ' ILE . 3.6 pt20 -150.41 -41.5 0.13 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.914 HG22 ' HG3' ' A' ' 18' ' ' GLN . 22.5 pt -78.65 110.26 13.53 Favored Pre-proline 0 N--CA 1.445 -0.677 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.499 -155.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 144.01 98.74 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 161.81 28.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.8 m 61.25 11.83 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.034 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.2 -76.58 0.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.494 ' O ' ' HG2' ' A' ' 50' ' ' MET . 25.0 mt-30 -97.47 63.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 169.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.657 ' O ' ' HB ' ' A' ' 26' ' ' THR . 36.0 tt0 -57.12 -58.59 7.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -173.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.657 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.1 m 84.51 -39.11 0.06 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 168.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.692 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.759 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.692 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.611 ' HG2' HD11 ' A' ' 35' ' ' LEU . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.546 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.634 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.779 HD22 ' HE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' O ' HD21 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 37' ' ' LEU . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.595 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' HZ1' ' HG2' ' A' ' 52' ' ' GLU . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' OD2' HG22 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.779 ' HE1' HD22 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.759 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.562 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.587 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.678 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.663 HG22 HD12 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.587 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.678 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.563 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.65 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 7.6 mm100 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.688 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.734 HG22 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.688 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.562 ' N ' HG21 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.669 HD11 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 70' ' ' LYS . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.654 HE21 ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.712 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' HH ' ' A' ' 60' ' ' TYR . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.747 ' HG ' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG23 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.656 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.497 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.497 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.752 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.725 ' HZ1' ' HB2' ' A' ' 98' ' ' LYS . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.845 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.536 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.845 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.536 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 -87.13 78.9 8.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -132.35 65.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.36 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -133.68 177.87 7.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.908 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 107' ' ' LEU . 5.9 mp -117.77 44.75 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.48 -20.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.103 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.68 HG23 ' H ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -54.43 -87.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.478 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.68 ' H ' HG23 ' A' ' 109' ' ' VAL . 56.5 t -65.78 137.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.59 88.49 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -74.05 94.46 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -132.06 107.6 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -125.24 134.93 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -99.51 73.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.1 t 56.71 86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.12 134.33 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -97.5 103.8 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.018 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.2 m -139.56 14.2 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -119.04 36.82 4.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -156.87 132.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.019 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -101.82 114.29 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.36 82.11 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 t -110.0 -60.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' O ' HG11 ' A' ' 8' ' ' VAL . 2.9 p -144.44 89.54 6.86 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.24 -62.39 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.689 2.259 . . . . 0.0 112.263 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -139.26 164.49 29.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -110.96 29.07 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.67 102.45 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.19 131.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.37 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.636 HG13 ' H ' ' A' ' 15' ' ' THR . 2.3 t -105.67 172.82 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.636 ' H ' HG13 ' A' ' 14' ' ' VAL . 69.6 m -72.73 105.44 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.061 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -143.76 178.55 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.54 ' HB3' ' HG3' ' A' ' 23' ' ' GLU . 80.9 p -58.99 173.64 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.017 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -145.9 -40.81 0.22 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.186 0.517 . . . . 0.0 110.389 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.554 HD13 ' HE1' ' A' ' 50' ' ' MET . 3.0 pt -74.67 158.52 84.77 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.131 -155.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.58 83.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.477 2.118 . . . . 0.0 112.229 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.92 -169.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -110.69 26.99 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 40.3 tt0 55.87 94.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.031 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 64.02 146.99 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -175.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.774 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.3 pt-20 -177.3 -63.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 0.0 111.472 -168.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.774 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 54.5 m -109.38 119.2 38.75 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.749 -167.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.882 HD12 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.634 ' HE ' HD11 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.685 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD23 ' HE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.685 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' N ' ' HB1' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' HB3' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB1' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.882 ' HB ' HD12 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.743 ' HE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.746 HG23 HD22 ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HE1' HD13 ' A' ' 19' ' ' ILE . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 24' ' ' GLN . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.753 HG13 ' HH ' ' A' ' 100' ' ' TYR . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.642 ' HB3' HG12 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' HH ' HD13 ' A' ' 81' ' ' LEU . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.701 ' HZ2' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.68 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.471 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 38.2 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 75.8 m80 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.68 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.727 HG21 HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.656 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.5 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 HD13 ' HH ' ' A' ' 60' ' ' TYR . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.691 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.75 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.454 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.656 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.715 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.715 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.721 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.505 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.723 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.753 ' HH ' HG13 ' A' ' 53' ' ' VAL . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.75 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.467 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 -81.76 128.22 33.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -146.28 -28.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.737 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.52 155.61 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 tp -88.76 12.22 15.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.1 m -61.41 118.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.451 HG13 HG23 ' A' ' 26' ' ' THR . 30.5 m -144.59 -165.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.25 -70.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.263 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 61.54 -84.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.12 122.42 16.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.988 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.44 -76.26 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 53.44 81.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m 56.43 30.12 16.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t 61.55 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.203 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.19 56.07 7.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.043 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -65.56 96.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.884 179.754 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.22 127.73 45.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.45 ' C ' HD21 ' A' ' 3' ' ' ASN . 0.2 OUTLIER -96.02 15.5 20.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 -179.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.614 HG21 ' H ' ' A' ' 6' ' ' MET . 55.4 m -104.92 139.04 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.064 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -102.99 30.2 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.614 ' H ' HG21 ' A' ' 4' ' ' THR . 16.1 tpt -88.76 -63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -110.25 26.15 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.75 127.19 25.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 143.46 48.44 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.492 2.128 . . . . 0.0 112.415 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.4 p -106.27 4.52 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.51 137.09 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.56 2.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.26 140.39 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -118.5 -42.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.8 m -146.51 94.29 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -137.21 14.95 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.075 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -145.75 -172.5 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.815 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' A' ' 96' ' ' HIS . 35.7 tt0 -163.9 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.568 0.699 . . . . 0.0 110.157 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -119.18 132.65 23.88 Favored Pre-proline 0 N--CA 1.435 -1.209 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.639 -167.886 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 30.7 Cg_exo -64.67 151.74 84.54 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.164 2.576 . . . . 0.0 112.853 -160.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.61 -161.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.9 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -84.14 -51.62 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.226 172.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB3' ' OE2' ' A' ' 25' ' ' GLU . 9.4 tp10 -158.03 54.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.151 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 50.56 37.39 15.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.062 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.6 ' HA ' ' H ' ' A' ' 50' ' ' MET . 6.3 pt-20 -151.94 -43.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.172 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.532 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.0 m 72.97 -38.73 0.43 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.992 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.62 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.57 HG11 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.685 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 107' ' ' LEU . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 33' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.746 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 57' ' ' LEU . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.646 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.577 ' HB ' ' HB2' ' A' ' 25' ' ' GLU . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.6 ' H ' ' HA ' ' A' ' 25' ' ' GLU . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.477 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.551 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.63 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.699 HD22 HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.526 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.462 ' HD1' HD21 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.703 HG22 HG13 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' C ' ' H ' ' A' ' 65' ' ' ARG . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.409 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.51 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.743 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.488 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' HB3' ' HD1' ' A' ' 73' ' ' HIS . 29.7 mm-40 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.498 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.684 ' HA ' HG22 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.743 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.703 HG13 HG22 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.634 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.544 ' HA ' HD13 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.516 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD11 HD13 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.516 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.777 HD13 HD11 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.756 ' HE2' ' HE2' ' A' ' 102' ' ' MET . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.79 HG22 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.626 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.79 ' HB3' HG22 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.577 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.684 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.623 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.699 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.564 ' H ' ' HD2' ' A' ' 96' ' ' HIS . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.614 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.746 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.551 ' HH ' ' HG ' ' A' ' 54' ' ' LEU . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.756 ' HE2' ' HE2' ' A' ' 86' ' ' PHE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.576 ' HH ' ' HG2' ' A' ' 50' ' ' MET . 81.4 m-85 -111.06 84.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -86.64 -79.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 -176.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -134.79 143.46 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 80.0 mt 55.09 67.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.014 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.685 ' HA ' ' HB3' ' A' ' 30' ' ' PRO . 7.2 p -157.51 -32.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.498 HG21 HG23 ' A' ' 26' ' ' THR . 8.7 p -95.81 147.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.38 139.05 16.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.17 156.11 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -86.48 46.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.69 -27.23 10.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.3 p -65.17 120.96 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.0 t -107.5 109.29 20.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.99 14.35 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -97.55 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.002 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -99.22 25.35 6.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.991 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -137.53 117.43 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.3 m -141.38 -31.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.27 -85.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.253 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.6 ptm -169.84 -169.78 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.3 p -61.23 157.45 16.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.73 125.06 34.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.81 -32.26 95.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.25 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.5 m 54.93 88.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.05 134.67 35.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.34 51.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.02 -6.62 53.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -53.79 157.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.407 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 55.2 m -93.65 89.47 6.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.039 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.3 m -115.72 -41.11 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -74.94 -167.9 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.776 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 6.9 tp60 -151.25 -62.72 0.18 Allowed 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.614 0.721 . . . . 0.0 109.78 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.459 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 15.4 tt -106.72 137.57 19.52 Favored Pre-proline 0 N--CA 1.44 -0.965 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.76 -153.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.483 ' HB2' ' HB3' ' A' ' 23' ' ' GLU . 16.1 Cg_exo -69.26 105.16 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.114 2.543 . . . . 0.0 112.312 -169.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 150.63 46.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.974 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 59.86 14.64 4.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 10.2 tp10 -107.1 -62.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -116.46 90.6 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.377 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.677 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 39.4 tt0 -104.42 -103.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -169.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.747 HG22 HG11 ' A' ' 28' ' ' VAL . 12.2 t 159.53 178.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 -163.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD21 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.747 HG11 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' HG23 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' H ' HD11 ' A' ' 35' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.785 HD21 ' HE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.725 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.506 ' OD2' HG21 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.506 HG21 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.785 ' HE1' HD21 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.593 ' O ' HG11 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.69 ' H ' HG21 ' A' ' 26' ' ' THR . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.593 HG11 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD23 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 5.9 mm100 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.532 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.746 HG22 HG12 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD22 ' O ' ' A' ' 64' ' ' LYS . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.461 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.662 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 HD11 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.746 HG12 HG22 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.623 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.604 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.604 ' OD1' ' HB3' ' A' ' 77' ' ' CYS . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.519 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.759 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.519 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.764 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.547 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.832 HG23 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.623 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.832 ' HB3' HG23 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.662 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.507 ' HG2' ' HG ' ' A' ' 92' ' ' SER . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.737 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.526 ' CD1' HG21 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.737 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 -92.0 99.81 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.99 123.65 50.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 55.8 33.74 22.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.49 ' H ' HD21 ' A' ' 107' ' ' LEU . 2.5 pt? -59.66 140.46 56.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 109' ' ' VAL . 91.8 t -80.29 -50.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.972 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.667 HG22 ' H ' ' A' ' 110' ' ' VAL . 1.1 p 52.68 177.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.772 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.667 ' H ' HG22 ' A' ' 109' ' ' VAL . 44.8 t -126.86 140.24 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.807 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.509 ' OD1' HG13 ' A' ' 110' ' ' VAL . 19.5 m120 56.19 79.78 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' H ' ' CD ' ' A' ' 112' ' ' GLN . 5.3 pm0 -102.42 145.99 28.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -92.8 14.78 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -119.99 130.75 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.1 p -79.33 121.24 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 m -87.41 157.75 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -135.91 19.8 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -142.09 -63.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.824 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.773 0.32 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t 62.45 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -159.51 -22.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.913 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -67.32 147.63 52.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -141.39 -40.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.7 ttt 55.21 86.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -106.86 84.75 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 11' ' ' ASP . 29.6 m -135.36 136.7 24.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.54 -7.1 19.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.608 2.206 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -98.02 -35.15 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.498 ' H ' HG23 ' A' ' 8' ' ' VAL . 9.9 m-20 53.46 83.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 133.87 6.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.554 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 159.95 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.125 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -79.69 172.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.736 HG22 ' HA ' ' A' ' 109' ' ' VAL . 18.6 m -89.64 146.17 24.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 104' ' ' TYR . 91.4 m -148.64 148.47 30.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 0.0 111.511 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.668 ' H ' ' HB3' ' A' ' 104' ' ' TYR . 8.6 p -151.3 -160.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.777 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 17.0 pt20 -168.94 -145.67 0.05 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 121.334 0.588 . . . . 0.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.668 ' O ' HG12 ' A' ' 19' ' ' ILE . 3.6 tt -179.07 59.14 0.11 Allowed Pre-proline 0 N--CA 1.436 -1.126 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.756 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -54.94 -7.86 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 123.333 2.689 . . . . 0.0 112.892 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 19' ' ' ILE . . . 178.4 10.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.226 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' HA ' HG13 ' A' ' 19' ' ' ILE . 37.7 t 62.07 10.98 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.589 -172.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -103.25 -7.7 20.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.607 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -132.13 82.01 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.876 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 36.5 tt0 -94.33 -97.57 0.15 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.332 -161.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.862 HG22 ' HG2' ' A' ' 25' ' ' GLU . 4.4 t 169.14 172.36 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 -161.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.681 ' H ' HG21 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.792 HG11 HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.52 ' H ' HG21 ' A' ' 15' ' ' THR . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' HZ3' ' HB2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.692 HD21 HD21 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.774 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.63 ' HA ' HD21 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.746 HD13 HG22 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.873 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.588 ' HZ2' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD2' HG21 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.433 HG21 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.626 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.876 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.588 ' HG3' ' HZ2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.694 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.486 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.742 ' HG2' ' HH ' ' A' ' 67' ' ' TYR . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 59' ' ' GLN . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.742 ' HH ' ' HG2' ' A' ' 62' ' ' MET . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.828 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 24.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 14.8 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.807 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.9 p80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.828 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.763 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.711 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.54 ' SG ' HD13 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.63 HD21 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 91' ' ' PHE . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.494 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.692 HD21 HD21 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' CZ ' ' HE1' ' A' ' 102' ' ' MET . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.494 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.653 HG21 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.536 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.763 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.68 ' HE1' HG12 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.68 HG12 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.807 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.435 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.623 ' HG3' ' HE2' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.508 ' H ' ' CD1' ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.607 ' HD2' HG22 ' A' ' 19' ' ' ILE . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.623 ' HE2' ' HG3' ' A' ' 98' ' ' LYS . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.668 ' HB3' ' H ' ' A' ' 17' ' ' SER . 52.5 m-85 -117.14 104.46 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.25 -85.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.423 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.563 ' O ' HG12 ' A' ' 108' ' ' VAL . 13.9 m120 -70.28 96.45 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.982 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.83 113.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.267 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.563 HG12 ' O ' ' A' ' 106' ' ' ASN . 3.8 p -174.31 92.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.292 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.785 HG11 ' H ' ' A' ' 110' ' ' VAL . 1.3 p -110.56 -75.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.108 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.785 ' H ' HG11 ' A' ' 109' ' ' VAL . 57.8 t -85.66 142.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.998 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.14 -73.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.095 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 56.29 71.91 0.53 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.04 -38.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.24 96.83 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.818 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.8 m -98.73 117.52 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -151.2 -15.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.43 165.66 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -148.04 113.06 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.047 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' O ' ' HG2' ' A' ' 1' ' ' MET . 43.8 ttp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HG ' ' H ' ' A' ' 4' ' ' THR . 14.4 p 47.02 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.448 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -145.42 38.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.445 ' H ' ' HG ' ' A' ' 2' ' ' CYS . 69.7 p -76.31 135.43 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -135.61 -25.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -133.03 138.07 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -146.7 85.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.32 135.27 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 135.55 16.47 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.578 2.185 . . . . 0.0 112.309 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.88 -28.14 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -93.61 141.25 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.779 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.56 12.55 60.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.533 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.18 132.26 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.081 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.87 -67.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -121.05 28.5 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.743 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.7 m 64.69 -81.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.41 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -115.79 -178.37 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 24.3 tp60 -138.64 -44.82 0.49 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.977 177.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.727 ' N ' ' HD2' ' A' ' 20' ' ' PRO . 32.4 pt -79.5 -26.57 0.47 Allowed Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.159 -159.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.727 ' HD2' ' N ' ' A' ' 19' ' ' ILE . 70.7 Cg_endo -74.91 24.69 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.454 2.103 . . . . 0.0 112.257 173.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 19' ' ' ILE . . . -73.77 -143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 t -73.11 0.68 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.815 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 52.78 88.57 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.535 ' HB2' ' HG3' ' A' ' 51' ' ' LYS . 64.9 tt0 63.33 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.583 -165.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.0 pt-20 -172.04 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.029 0.442 . . . . 0.0 111.07 -171.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.593 ' OG1' HG22 ' A' ' 28' ' ' VAL . 8.6 t -87.7 -170.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.343 -163.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.594 HG13 ' HD3' ' A' ' 30' ' ' PRO . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.725 ' HB2' HD12 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.815 HD13 HD21 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.886 ' HB3' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 30' ' ' PRO . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD21 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.461 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.718 ' HE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.683 HG23 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.683 ' H ' HG23 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.535 ' HG3' ' HB2' ' A' ' 24' ' ' GLN . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.666 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.577 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.608 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.661 HD23 HD11 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.45 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.81 HG22 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.864 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.548 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.545 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 25.0 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.605 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.6 p80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.403 HG21 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.864 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.737 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.465 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.484 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.531 HD22 HD13 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.886 HD23 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.626 ' HB3' HG21 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.527 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.737 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.505 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.768 ' HA ' HG23 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.768 HG23 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.666 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.558 HG23 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.715 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.56 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -97.85 -81.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 58.46 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -118.11 82.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.9 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 tp -127.2 150.29 49.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -76.6 76.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.279 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.87 142.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.999 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.06 130.71 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -133.95 162.22 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -114.55 127.06 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.994 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.426 ' OE1' ' HB3' ' A' ' 115' ' ' SER . 0.0 OUTLIER -65.06 99.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.91 101.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.426 ' HB3' ' OE1' ' A' ' 113' ' ' GLN . 80.3 p -125.72 -8.04 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.8 t -137.1 28.49 2.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.56 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.209 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -150.61 -17.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.911 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.89 -23.21 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.56 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.8 OUTLIER -86.55 -22.24 26.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -96.0 145.72 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -94.65 104.57 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -85.45 134.54 34.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.664 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t 62.14 177.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.987 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t 58.22 85.03 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.65 150.81 50.67 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.749 2.299 . . . . 0.0 112.283 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -87.83 109.84 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 57.13 82.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.1 78.27 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.84 132.26 54.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.4 t -86.1 -36.94 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.455 HG22 ' NE2' ' A' ' 18' ' ' GLN . 6.3 t -93.69 163.06 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.061 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.6 m -126.85 -31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.293 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -137.41 115.15 11.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.135 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 8.8 pt20 -170.44 -149.78 0.07 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.786 0.803 . . . . 0.0 111.224 175.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.662 HG13 ' HD2' ' A' ' 20' ' ' PRO . 2.0 tt -120.08 143.29 35.18 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-N 113.943 -1.48 . . . . 0.0 110.79 151.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.662 ' HD2' HG13 ' A' ' 19' ' ' ILE . 18.6 Cg_exo -66.66 120.39 7.5 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 123.512 2.808 . . . . 0.0 112.19 -172.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' CB ' HG22 ' A' ' 19' ' ' ILE . 94.9 p -179.19 -7.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 2.6 pm0 -78.14 49.26 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 65.0 tt0 68.82 135.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.702 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.615 ' HG3' ' N ' ' A' ' 26' ' ' THR . 8.0 pt-20 -176.11 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -170.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.717 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m -116.55 118.87 33.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.135 -163.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.822 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.746 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.726 ' HB3' ' HZ2' ' A' ' 31' ' ' LYS . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' C ' HD21 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.883 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.626 HD21 HD21 ' A' ' 82' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.885 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.883 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.405 HG11 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' HG2' ' A' ' 29' ' ' ARG . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.665 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.822 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG11 HD21 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.64 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.562 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.615 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.885 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.565 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.769 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD23 ' OD1' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.802 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.802 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.666 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.507 ' SG ' HG13 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.653 ' N ' HD21 ' A' ' 79' ' ' ASN . 0.0 OUTLIER -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.511 ' OD1' HD23 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.654 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.513 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.654 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.666 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.62 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.65 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.472 HG11 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.515 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG21 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.606 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.606 ' H ' ' HG3' ' A' ' 97' ' ' ARG . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.627 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.721 ' HE2' ' HE2' ' A' ' 86' ' ' PHE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.593 HD11 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -91.65 82.9 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -91.37 -29.78 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.464 ' ND2' ' HE2' ' A' ' 31' ' ' LYS . 2.4 m-20 -80.38 124.42 28.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.6 tp -85.9 72.23 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.5 p -147.68 117.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.075 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.6 m -144.31 174.72 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 26' ' ' THR . 57.4 t -129.72 90.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -90.67 138.44 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -97.72 130.64 44.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.64 0.3 55.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -92.27 127.18 37.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -155.4 -173.62 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t 63.67 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.084 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.76 179.97 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.96 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m -65.9 -70.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.849 -179.084 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -87.23 142.08 28.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -89.07 46.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.5 m -63.5 129.94 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -68.62 164.73 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.2 mtp -59.76 -76.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -167.5 -68.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.014 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' H ' ' A' ' 10' ' ' THR . 6.4 p -115.44 127.26 26.95 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.43 -6.07 16.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.555 2.17 . . . . 0.0 112.415 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.667 ' H ' HG23 ' A' ' 8' ' ' VAL . 3.7 m 60.9 19.72 10.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.115 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -66.91 168.73 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 -145.23 4.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 132.4 47.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.945 0.402 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.77 -34.09 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -101.83 142.95 32.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.8 p -121.15 152.39 38.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -139.75 0.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.83 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 18.1 pt20 -158.27 -146.73 0.16 Allowed 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.504 0.669 . . . . 0.0 111.201 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.454 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -143.26 154.18 60.54 Favored Pre-proline 0 N--CA 1.438 -1.034 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.582 164.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 23' ' ' GLU . 38.4 Cg_exo -60.24 126.73 20.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 112.253 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' HZ2' ' A' ' 51' ' ' LYS . . . -76.19 149.74 37.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.2 m 60.83 13.85 4.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' PRO . 14.0 mm-40 -110.01 -66.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 176.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.87 63.89 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 26' ' ' THR . 35.0 tt0 -82.4 -66.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.31 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.713 HG21 ' HB ' ' A' ' 109' ' ' VAL . 32.0 m 69.08 110.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' HZ3' HD21 ' A' ' 106' ' ' ASN . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.845 HD22 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.605 HD21 HD12 ' A' ' 38' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.54 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' A' ' 38' ' ' LEU . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.845 ' HE2' HD22 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.541 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HZ2' ' HB1' ' A' ' 21' ' ' ALA . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.638 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD22 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.774 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.626 HD22 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.827 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.533 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.453 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.456 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.827 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.602 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.545 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD22 ' OH ' ' A' ' 60' ' ' TYR . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.666 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.666 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.852 ' HB2' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.852 HG12 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.662 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.705 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.774 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.573 ' O ' HG13 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 92' ' ' SER . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.634 ' O ' HG23 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.83 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.591 ' CD1' HG22 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.531 HG21 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.83 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.432 ' CD2' ' HE2' ' A' ' 50' ' ' MET . 96.9 m-85 -81.53 118.03 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -134.3 175.88 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.722 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.47 HD21 ' HZ3' ' A' ' 31' ' ' LYS . 61.5 t30 63.91 157.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.19 80.14 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.44 -42.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.713 ' HB ' HG21 ' A' ' 26' ' ' THR . 31.3 m -66.13 162.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.11 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.71 99.72 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.32 107.47 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.738 ' HG2' ' H ' ' A' ' 114' ' ' GLU . 9.7 tt0 65.83 144.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -79.72 -1.73 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.738 ' H ' ' HG2' ' A' ' 112' ' ' GLN . 12.9 mm-40 -109.96 161.29 15.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t 56.63 84.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -80.41 -19.8 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -155.14 -62.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.5 p -153.26 178.24 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.004 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.7 t -84.45 104.33 14.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.573 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.8 OUTLIER 57.17 33.86 23.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 178.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 t -76.15 -11.74 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -94.8 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtt -90.54 -175.87 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t 61.24 98.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.97 100.21 16.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.61 171.56 17.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.602 2.201 . . . . 0.0 112.306 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.3 p -108.31 58.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 56.64 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.84 -81.75 1.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.83 172.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.943 0.401 . . . . 0.0 111.247 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.637 HG11 ' H ' ' A' ' 15' ' ' THR . 2.3 t -128.64 172.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.71 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.637 ' H ' HG11 ' A' ' 14' ' ' VAL . 58.9 m -115.88 93.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.7 p -133.15 -168.83 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.512 ' HB2' HH21 ' A' ' 97' ' ' ARG . 88.2 p 50.27 86.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' HB2' ' HD2' ' A' ' 20' ' ' PRO . 2.5 pt20 -150.05 -137.81 0.08 Allowed 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.233 0.54 . . . . 0.0 110.929 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.751 HD13 ' HE2' ' A' ' 50' ' ' MET . 1.6 tt -174.91 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.442 -0.834 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.346 170.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.715 ' HG3' ' HE2' ' A' ' 100' ' ' TYR . 51.7 Cg_exo -54.86 105.39 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.177 1.918 . . . . 0.0 112.198 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.757 ' HB2' ' HB3' ' A' ' 51' ' ' LYS . . . 60.45 173.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.144 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 50.6 m 71.04 -69.31 0.19 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.279 177.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -48.2 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.882 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.46 ' OE1' ' HE3' ' A' ' 50' ' ' MET . 3.3 pt20 -128.45 143.96 51.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.947 172.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.647 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 27.6 tt0 -115.73 -82.35 0.62 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -174.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.832 HG21 ' HA ' ' A' ' 109' ' ' VAL . 52.9 m 76.01 146.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.55 ' HB ' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 108' ' ' VAL . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' HA ' HG12 ' A' ' 108' ' ' VAL . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD11 HD21 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.715 HD23 ' HE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' HD13 ' A' ' 38' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.704 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG11 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.561 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.477 HG21 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.715 ' HE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.751 ' HE2' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.757 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.65 ' HG ' ' HH ' ' A' ' 104' ' ' TYR . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.658 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.643 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.717 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.792 ' HA2' HD13 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' CD2' HD23 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.792 HD13 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.824 HG23 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.824 ' HG2' HG23 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.729 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 18.5 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.541 ' HA ' HG13 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.729 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 90' ' ' SER . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' OD2' ' HG ' ' A' ' 66' ' ' LEU . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' CB ' HD22 ' A' ' 37' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.717 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' OD1' HD13 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.694 HD21 HD11 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.71 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.646 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.801 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.864 ' HA ' HG23 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.512 HH21 ' HB2' ' A' ' 17' ' ' SER . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.722 ' HB3' ' HZ3' ' A' ' 98' ' ' LYS . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.87 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.715 ' HE2' ' HG3' ' A' ' 20' ' ' PRO . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.65 ' HH ' ' HG ' ' A' ' 54' ' ' LEU . 74.2 m-85 -111.66 -162.35 0.79 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 61.89 79.14 0.26 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.986 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.455 ' C ' HD13 ' A' ' 107' ' ' LEU . 18.0 m120 -147.55 -85.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 106' ' ' ASN . 5.1 mp -142.33 27.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.772 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.868 HG13 HG22 ' A' ' 109' ' ' VAL . 4.1 p -147.44 -176.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.868 HG22 HG13 ' A' ' 108' ' ' VAL . 54.7 t 71.94 135.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.74 105.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -143.5 -49.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.15 -60.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -99.09 103.32 15.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.5 167.8 10.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.7 m -145.16 10.8 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.9 p -95.63 179.82 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.26 -175.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.157 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -141.29 120.6 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.35 59.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.403 ' OD1' HG21 ' A' ' 4' ' ' THR . 26.7 t-20 63.01 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.403 HG21 ' OD1' ' A' ' 3' ' ' ASN . 77.2 p -83.89 165.75 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.069 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -147.61 103.28 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.3 mtt -92.74 76.45 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -164.67 -54.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -117.59 102.26 51.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.45 -30.3 87.63 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -163.9 141.56 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -140.27 102.54 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.91 -134.13 12.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.75 130.74 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -66.22 157.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 0.0 111.431 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 61.2 m -104.12 102.21 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.034 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -89.23 149.92 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -51.17 -65.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HG2' ' ND1' ' A' ' 96' ' ' HIS . 57.2 tp60 -148.29 -45.53 0.15 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 110.181 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.878 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 3.7 pt -73.18 179.97 1.01 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.07 -158.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.878 ' HD2' ' HB ' ' A' ' 19' ' ' ILE . 50.3 Cg_endo -69.3 -139.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.954 1.769 . . . . 0.0 111.238 166.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' H ' ' HB2' ' A' ' 20' ' ' PRO . . . 53.6 -150.74 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.584 0.23 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -106.77 -92.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.733 0.301 . . . . 0.0 110.863 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -175.8 124.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.688 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 5.2 mm-40 62.72 -75.8 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.815 -174.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.688 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 7.7 pt-20 60.86 -2.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 156.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 28' ' ' VAL . 6.3 t -150.27 -175.67 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -170.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.753 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.737 HD12 HD23 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.702 HD23 HD22 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.654 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.661 ' HA ' HG11 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.604 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.661 HG11 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.625 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.593 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.655 ' OH ' ' HB2' ' A' ' 38' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.753 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.656 ' H ' HG21 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.621 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.591 ' O ' HG23 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.619 HG22 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD21 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.779 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.582 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 24.8 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.602 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.779 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.619 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.492 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.524 ' OD2' HD21 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.702 HD22 HD23 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.912 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.912 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.691 ' HE1' HD13 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.616 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.644 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.726 ' HB3' HG22 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.687 ' HA ' HG23 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.853 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.793 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.621 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.793 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.597 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.451 ' HE1' HG13 ' A' ' 28' ' ' VAL . 88.7 m-85 -108.87 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -135.91 25.98 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.802 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 58.77 -172.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.5 tp 64.92 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.153 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 98.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.314 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.5 -169.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.995 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.697 ' HB ' ' H ' ' A' ' 27' ' ' LEU . 10.1 p -59.6 145.34 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.048 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -152.04 -55.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -107.5 90.51 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.613 ' HG3' ' H ' ' A' ' 116' ' ' SER . 7.5 tp60 -101.73 -54.42 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 56.15 65.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t 54.82 41.71 31.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.613 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 37.4 t 61.47 174.02 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -112.68 42.42 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -131.21 121.42 24.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.913 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -81.13 -64.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -152.41 79.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 m 61.57 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -94.26 145.74 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.988 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -92.72 144.8 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -115.58 -23.97 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -127.74 90.96 46.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.186 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.24 157.49 25.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.191 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 m -88.46 95.5 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.19 177.16 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.63 76.48 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.53 131.68 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG11 ' HG1' ' A' ' 15' ' ' THR . 48.3 t -113.92 -67.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.021 -178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HG1' HG11 ' A' ' 14' ' ' VAL . 81.7 m -151.97 129.09 11.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -167.77 172.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -59.6 165.74 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.613 ' NE2' ' HD2' ' A' ' 97' ' ' ARG . 8.1 tt0 -149.2 -45.74 0.14 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 110.309 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -65.3 109.09 2.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.619 -157.27 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HG2' ' HB2' ' A' ' 23' ' ' GLU . 84.3 Cg_endo -90.45 140.99 3.25 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.896 2.397 . . . . 0.0 112.489 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.22 155.52 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m 65.52 4.15 2.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.256 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -86.9 -74.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.131 171.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.77 148.2 22.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.217 163.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.953 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 3.0 tt0 -177.39 100.04 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.545 0.688 . . . . 0.0 110.828 178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.6 HG21 ' H ' ' A' ' 110' ' ' VAL . 19.1 m -72.58 154.96 40.52 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.45 170.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.838 HG23 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD3' HG23 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.542 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' H ' HD21 ' A' ' 35' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.716 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HD11 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.751 HD12 HG11 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' HG3' ' HH ' ' A' ' 48' ' ' TYR . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.699 HG21 ' HA ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HZ2' ' HG2' ' A' ' 52' ' ' GLU . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.596 ' CE1' HD13 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.953 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.561 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.751 HG11 HD12 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.616 HD12 HD23 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.694 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.615 HG12 ' O ' ' A' ' 57' ' ' LEU . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.711 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.493 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.755 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.661 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.532 ' O ' ' HA ' ' A' ' 92' ' ' SER . 70.3 m80 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.415 ' H ' ' C ' ' A' ' 72' ' ' GLN . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.755 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.449 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD11 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.643 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.687 HD22 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' HG11 ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.633 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.643 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.532 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.596 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.541 ' HB2' HD13 ' A' ' 19' ' ' ILE . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.613 ' HD2' ' NE2' ' A' ' 18' ' ' GLN . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.647 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.704 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.647 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.543 HD13 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.477 ' HA ' HG11 ' A' ' 110' ' ' VAL . 95.9 m-85 -110.99 162.39 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.472 ' H ' HG12 ' A' ' 110' ' ' VAL . 24.2 mmm180 -141.12 -59.65 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.901 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.597 ' HB3' ' HA ' ' A' ' 110' ' ' VAL . 14.1 t-20 -77.11 178.29 7.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 107' ' ' LEU . 6.6 mp -100.28 -69.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.785 0.326 . . . . 0.0 111.219 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG23 HG22 ' A' ' 109' ' ' VAL . 34.2 m -76.66 -29.22 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.456 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.769 HG22 HG23 ' A' ' 108' ' ' VAL . 5.2 m -148.74 72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.6 ' H ' HG21 ' A' ' 26' ' ' THR . 96.0 t -43.58 104.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.197 172.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -122.22 141.04 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.67 -25.5 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.426 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 24.3 tp60 -161.33 101.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 141.44 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.2 m -99.4 129.58 45.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.2 m -81.88 170.41 15.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.88 176.19 0.1 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -166.34 -21.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.863 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.17 176.41 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -139.73 106.06 5.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -135.5 -0.78 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -80.84 126.96 31.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt 57.42 89.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.961 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.4 p -122.59 12.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -98.24 108.22 45.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.21 144.79 58.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.507 2.138 . . . . 0.0 112.28 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.1 m -142.86 -60.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.34 118.11 36.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.09 -178.65 16.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.489 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.64 -176.29 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.29 -70.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.9 m -110.99 106.06 15.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -137.36 93.15 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.439 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 46.9 t 63.44 165.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.881 ' HG3' HG22 ' A' ' 19' ' ' ILE . 3.0 pt20 -148.3 -46.02 0.15 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.881 HG22 ' HG3' ' A' ' 18' ' ' GLN . 15.7 pt -80.9 105.81 4.49 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.355 -157.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 86.5 Cg_endo -83.91 29.81 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.621 2.214 . . . . 0.0 112.753 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 55.14 -163.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.068 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 49.0 m 75.47 -41.41 0.45 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.329 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.8 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.53 114.58 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 171.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.652 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 35.5 tt0 -112.45 -81.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.108 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.515 HG21 ' N ' ' A' ' 28' ' ' VAL . 44.3 m 73.41 140.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.515 ' N ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 33' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.721 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HB3' HD11 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.006 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.81 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.648 ' HB1' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.465 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE2' HD11 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 HG23 HD12 ' A' ' 27' ' ' LEU . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.652 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 1.006 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.66 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' HA2' HD11 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.81 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' HA ' HG23 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.731 HG22 HG13 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.549 HG23 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.691 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.841 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' HB2' ' HD1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.841 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.731 HG13 HG22 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.536 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.431 ' OD1' HD13 ' A' ' 66' ' ' LEU . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD11 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.745 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.5 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.745 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.605 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.577 ' O ' HG21 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.607 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.661 ' HA ' HG21 ' A' ' 99' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.729 ' HZ3' ' HB2' ' A' ' 98' ' ' LYS . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.934 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.934 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.584 HG21 HD11 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.429 ' OH ' HG12 ' A' ' 53' ' ' VAL . 80.2 m-85 -102.39 139.4 38.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -140.78 145.94 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.544 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -58.12 98.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.3 tp -148.09 -66.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.37 -73.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.211 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.8 m 41.71 -161.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.84 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.89 139.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.417 ' H ' HH21 ' A' ' 29' ' ' ARG . 27.2 t-20 -92.32 140.71 29.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.994 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -152.55 19.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.76 -30.81 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.53 128.35 35.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.1 t -159.63 76.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 t 61.02 174.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.075 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -154.61 103.59 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -151.18 -26.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.816 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.9 t -161.05 -65.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -105.97 8.0 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 p -87.08 -22.36 25.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -97.97 98.68 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.3 ttp -88.32 114.39 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 m -103.33 117.01 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.6 p -95.52 126.43 45.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 23.2 Cg_exo -65.24 -45.51 7.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.79 2.327 . . . . 0.0 112.425 -176.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.6 t -104.07 143.76 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.284 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.43 25.4 4.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.54 -120.75 0.91 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.28 -176.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.68 -67.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.2 m -149.64 92.93 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.4 m -154.4 -77.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.97 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -170.29 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.609 ' HG3' ' HB ' ' A' ' 19' ' ' ILE . 9.8 pt20 -174.35 -46.89 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.128 0.49 . . . . 0.0 110.274 175.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.635 ' O ' HG13 ' A' ' 19' ' ' ILE . 8.6 tp -125.31 45.47 1.39 Allowed Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.035 -148.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 19' ' ' ILE . 10.8 Cg_endo -52.56 92.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.763 2.308 . . . . 0.0 112.492 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.51 60.82 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.564 0.697 . . . . 0.0 110.533 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.868 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 68.0 m -159.26 11.89 0.14 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.229 172.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 9.6 tp10 52.48 75.23 0.24 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 1.9 mp0 60.49 120.19 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -170.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.868 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 6.4 pt-20 -137.59 -49.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.058 -161.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.823 ' H ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m -137.01 117.33 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.862 -150.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.857 ' HA ' HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.693 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.693 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.707 ' HZ3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.642 ' H ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.578 HD13 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB2' ' HH ' ' A' ' 48' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.752 ' HH ' ' HB2' ' A' ' 43' ' ' ALA . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.873 HG22 ' HG3' ' A' ' 50' ' ' MET . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.873 ' HG3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.675 HG21 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.737 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.871 HD13 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.54 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.649 HG12 HD12 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.633 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.641 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.527 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.921 HD22 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.921 HD12 HD22 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.618 ' HB3' HG12 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.618 HG12 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.641 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.675 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.651 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.791 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' HB2' HD13 ' A' ' 19' ' ' ILE . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.542 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.648 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.678 ' HE1' ' HA ' ' A' ' 99' ' ' ILE . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.648 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.538 ' HH ' HG12 ' A' ' 53' ' ' VAL . 94.2 m-85 -91.22 100.26 13.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -95.01 -79.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -174.57 125.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.6 tp -170.23 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.89 136.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.566 HG22 ' HG2' ' A' ' 112' ' ' GLN . 28.4 m -142.32 -165.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.888 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -31.85 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.546 ' H ' HG21 ' A' ' 109' ' ' VAL . 27.5 t-20 -106.64 -80.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.269 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.566 ' HG2' HG22 ' A' ' 109' ' ' VAL . 15.8 mm100 60.25 -84.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -147.67 140.18 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 115' ' ' SER . 9.1 tp10 -100.34 168.09 9.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.62 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 47.1 t -50.93 148.08 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.999 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.0 p -62.94 157.91 20.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.23 84.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -162.7 177.81 9.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.957 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.4 m -94.08 -4.02 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.81 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.044 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p 48.48 57.22 6.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.326 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.69 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.71 -69.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -147.76 16.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -97.36 106.58 33.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 96.72 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 112.306 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.7 p -103.01 170.26 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 57.05 28.83 15.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.36 -99.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.8 132.04 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 111.164 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.88 -62.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.1 m -112.06 109.79 19.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.7 p -81.6 132.23 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -153.73 11.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 97' ' ' ARG . 7.0 pt20 -163.85 -153.76 0.24 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.646 0.736 . . . . 0.0 110.975 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.7 tp -102.12 137.12 19.38 Favored Pre-proline 0 N--CA 1.442 -0.825 0 CA-C-N 113.767 -1.56 . . . . 0.0 110.26 142.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 7.2 Cg_exo -74.41 22.04 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.275 2.65 . . . . 0.0 112.15 -172.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' ' 19' ' ' ILE . . . -147.38 107.11 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.699 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' GLN . 77.7 p -135.82 99.24 4.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 -173.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 51' ' ' LYS . 31.3 mt-10 55.45 10.4 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -175.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.631 HE21 ' HA ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -148.54 103.43 3.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.678 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.9 pt-20 -176.71 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -171.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.763 ' H ' ' HG2' ' A' ' 50' ' ' MET . 29.1 m -153.79 122.38 6.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -147.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.774 ' HA ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' HG23 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' HD22 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.65 ' HB3' HD23 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.695 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.833 HD12 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HG3' ' HH ' ' A' ' 48' ' ' TYR . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.796 HG23 ' HG3' ' A' ' 50' ' ' MET . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.796 ' HG3' HG23 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.509 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.642 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 49' ' ' THR . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.642 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.64 HD21 HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.6 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' CE1' HD13 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.534 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.614 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.647 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.818 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.563 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASP . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 26.6 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG22 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.818 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.579 ' SG ' HD13 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.571 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.647 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.515 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.618 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.619 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.732 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.732 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' H ' ' A' ' 97' ' ' ARG . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.756 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.756 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' CD1' HD13 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.66 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.474 ' HD1' HG11 ' A' ' 109' ' ' VAL . 98.9 m-85 -105.72 128.15 53.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.485 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 39.1 ttm180 -96.05 154.39 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.862 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -97.4 80.28 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.8 tt -158.36 -72.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.9 p -98.99 -25.11 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.546 HG12 HG23 ' A' ' 26' ' ' THR . 36.3 t -77.53 151.05 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.898 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.406 HG23 HG13 ' A' ' 109' ' ' VAL . 16.4 t 55.49 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.63 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -120.69 132.86 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -154.93 -5.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.476 ' HG3' ' H ' ' A' ' 115' ' ' SER . 8.5 tp-100 -89.12 134.48 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -108.47 32.9 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.476 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 88.0 p -89.3 11.75 18.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 m -145.92 6.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.94 23.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -72.0 141.1 49.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.91 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.7 m -90.29 129.5 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 57.12 24.89 10.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p 48.16 34.04 4.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.433 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 60.4 100.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.072 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.6 mmm 65.53 125.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -88.92 -30.67 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.44 73.64 55.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.368 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.79 -55.06 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.791 2.328 . . . . 0.0 112.129 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -149.87 150.57 32.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -142.06 141.41 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.92 -18.42 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.374 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.02 131.91 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG12 ' HG1' ' A' ' 15' ' ' THR . 48.7 t -107.69 -59.34 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 -179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.439 ' HG1' HG12 ' A' ' 14' ' ' VAL . 63.0 m -147.73 108.48 4.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.6 p -107.49 5.39 27.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.624 ' HA ' ' HB3' ' A' ' 97' ' ' ARG . 79.6 p -153.01 143.76 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.513 ' HB2' ' HG1' ' A' ' 101' ' ' THR . 7.3 tp60 -147.34 -41.99 0.18 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.119 0.485 . . . . 0.0 110.342 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.544 HD11 ' O ' ' A' ' 19' ' ' ILE . 1.5 pp -82.86 117.17 67.71 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.0 -153.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.567 ' HG2' ' H ' ' A' ' 23' ' ' GLU . 94.9 Cg_endo -85.17 32.19 0.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.838 2.359 . . . . 0.0 111.9 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.57 38.33 15.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.035 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' HA ' ' OE1' ' A' ' 25' ' ' GLU . 40.4 t 63.38 64.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.887 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.567 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 45.8 mt-10 -130.19 -19.54 3.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 177.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -166.96 104.68 0.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.585 ' HG2' HG23 ' A' ' 26' ' ' THR . 0.2 OUTLIER -174.63 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.997 -170.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.819 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t -116.02 -105.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -145.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.814 ' H ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' CG ' HD13 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.747 ' HD3' HG21 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.677 HD23 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD22 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.885 HD22 HD11 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.522 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.66 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE1' HD11 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.659 ' HA ' ' HG1' ' A' ' 26' ' ' THR . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.819 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.762 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.547 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.695 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 37' ' ' LEU . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.679 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.707 HG22 HG23 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.574 ' HE1' ' NE2' ' A' ' 72' ' ' GLN . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.679 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.67 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.663 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.574 ' NE2' ' HE1' ' A' ' 62' ' ' MET . 9.9 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.637 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.707 HG23 HG22 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.648 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.893 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.886 HD22 HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.458 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD11 HD12 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.644 ' HE2' ' HE1' ' A' ' 102' ' ' MET . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.648 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.617 ' HB3' HG23 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.429 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.915 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.624 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.623 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.915 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.624 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.513 ' HG1' ' HB2' ' A' ' 18' ' ' GLN . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.878 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.524 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 -109.73 114.3 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -93.23 -168.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -85.3 9.67 14.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 107' ' ' LEU . 3.5 mm? -111.28 126.9 55.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t 55.96 75.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.14 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.64 HG21 ' H ' ' A' ' 111' ' ' ASN . 21.8 m -144.8 -164.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -61.34 -18.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.64 ' H ' HG21 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -54.07 158.31 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -176.111 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -148.29 136.65 21.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -162.75 10.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -99.5 107.82 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -100.83 30.51 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -136.24 -24.36 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -98.83 153.95 18.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p 48.39 80.95 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.993 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.6 m -139.39 129.03 24.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -93.49 13.0 23.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.6 m -106.29 139.22 41.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 58.27 89.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.6 mtp -76.0 -56.72 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -129.08 -37.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.19 134.44 21.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.07 73.64 5.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.559 2.173 . . . . 0.0 112.341 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 m -154.17 -65.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.98 143.92 40.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -25.67 6.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.54 132.22 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -135.94 -45.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.8 t -86.68 -15.95 38.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 m -83.18 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -109.1 177.12 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -145.53 -42.97 0.22 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 HD11 ' N ' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -74.52 159.37 83.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.7 -157.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.743 ' HG2' ' HB ' ' A' ' 101' ' ' THR . 31.3 Cg_exo -59.12 80.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.546 2.164 . . . . 0.0 112.397 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.65 -170.68 0.21 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 t -120.0 43.72 2.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 53.35 88.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 28.8 tt0 63.67 152.67 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.818 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.56 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 10.6 pt-20 -173.66 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.321 -172.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 109' ' ' VAL . 5.4 m -136.61 175.82 9.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.247 -163.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' N ' HG21 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.635 ' HB ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HG2' HD13 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 107' ' ' LEU . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' O ' HD13 ' A' ' 34' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.712 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.7 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.699 HD12 HD22 ' A' ' 57' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.887 HD21 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.712 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.551 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.526 ' HB3' ' HH ' ' A' ' 48' ' ' TYR . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.609 ' HZ1' ' HG2' ' A' ' 52' ' ' GLU . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.46 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' CE2' HD22 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.628 ' H ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.526 HG11 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.887 ' HB3' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.699 HD22 HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.682 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.709 ' HH ' HD23 ' A' ' 81' ' ' LEU . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.752 HG21 HG13 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.657 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.657 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.83 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.529 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.621 ' H ' HE21 ' A' ' 72' ' ' GLN . 0.0 OUTLIER -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.668 ' O ' ' HA ' ' A' ' 92' ' ' SER . 7.5 p80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.83 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.683 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' CG ' HD23 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.709 HD23 ' HH ' ' A' ' 60' ' ' TYR . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.786 ' HB3' HG22 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.786 HG22 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.683 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.647 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.668 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.712 ' HA ' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.625 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.751 ' HA ' HD11 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.691 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.759 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.532 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.743 ' HB ' ' HG2' ' A' ' 20' ' ' PRO . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.759 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.475 ' HD1' HG23 ' A' ' 108' ' ' VAL . 97.1 m-85 -93.04 98.1 11.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -154.41 -63.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.48 117.59 23.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 1.4 tm? 55.7 89.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 109' ' ' VAL . 14.0 p -138.49 152.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.403 -172.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.645 ' HA ' HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER 61.73 157.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.314 168.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.8 p -120.97 -24.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.213 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -94.43 142.5 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -146.12 124.18 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.24 -32.78 14.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.8 t -93.16 115.27 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.4 p -151.0 14.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -95.52 -64.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 m 56.73 85.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.942 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.76 -22.47 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.11 137.17 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.3 m -148.29 104.64 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -96.68 97.18 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.2 ttp -152.27 131.92 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.2 t -151.59 -18.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.86 87.25 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.12 -165.8 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.532 2.155 . . . . 0.0 112.311 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -63.76 -38.37 90.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.12 104.74 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.32 -32.01 3.59 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.25 -174.61 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.383 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG13 ' HG1' ' A' ' 15' ' ' THR . 48.3 t -110.58 -70.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.417 ' HG1' HG13 ' A' ' 14' ' ' VAL . 62.8 m -151.81 110.13 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 t -164.93 140.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 t -97.28 -70.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 53.8 tt0 -160.81 -41.8 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.345 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -79.9 -24.58 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -156.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 19' ' ' ILE . 88.9 Cg_exo -42.14 145.02 0.92 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.509 2.139 . . . . 0.0 112.51 172.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.801 ' HB1' ' HD3' ' A' ' 51' ' ' LYS . . . -62.9 155.69 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.229 -177.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t 64.76 10.62 6.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.77 -79.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.575 173.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -135.13 90.1 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 26' ' ' THR . 34.4 tt0 -98.31 -102.63 0.2 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -170.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.723 HG22 HG13 ' A' ' 28' ' ' VAL . 14.4 t 157.75 179.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.203 -165.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.723 HG13 HG22 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.63 ' HD3' HG21 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' HA ' HD22 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD22 HD12 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.625 HD22 ' HA ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.791 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.739 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.662 HG21 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.641 ' HZ2' ' HG3' ' A' ' 52' ' ' GLU . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HG1' ' HB2' ' A' ' 52' ' ' GLU . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.57 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.801 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.739 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.528 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.669 ' HG ' HD11 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.524 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.528 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.727 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD21 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.64 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.608 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.64 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' OD1' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD23 HD13 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.791 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.61 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.844 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.844 HG21 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.692 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.745 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.608 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.461 HG13 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.557 ' HA ' HG23 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.627 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.783 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.553 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.541 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.783 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.426 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 -96.28 113.55 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 105' ' ' ARG . 3.8 tmt_? -77.7 -11.44 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.439 ' C ' HD21 ' A' ' 106' ' ' ASN . 0.2 OUTLIER 64.4 57.55 1.16 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.72 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 HD13 ' NH1' ' A' ' 105' ' ' ARG . 57.4 tp -125.67 -54.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.799 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.5 t -107.17 80.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.19 173.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.936 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.473 HG23 HE21 ' A' ' 112' ' ' GLN . 10.1 p -100.09 142.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.998 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -117.2 -33.83 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.473 HE21 HG23 ' A' ' 110' ' ' VAL . 84.2 mm-40 57.29 20.5 5.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.012 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -150.26 148.15 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.977 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.41 104.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -61.21 107.45 0.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.9 m -132.76 17.0 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -124.9 178.09 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p 50.63 -166.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.9 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.0 p 40.78 42.95 1.57 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.38 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -139.22 -34.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -92.84 -44.61 8.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -80.62 -35.04 34.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.0 mmt -93.35 72.36 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -96.71 40.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 m -81.87 114.8 53.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.89 -26.48 9.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.622 2.215 . . . . 0.0 112.285 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.8 p 51.45 -170.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.533 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 56.45 28.04 13.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.016 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.79 157.2 16.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.91 132.07 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.355 . . . . 0.0 111.133 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.92 -54.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -129.28 114.29 16.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.902 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p 50.79 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.405 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -165.94 144.86 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.013 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.65 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 10.1 pt20 -160.55 -156.39 0.47 Allowed 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 177.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 HG21 ' C ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -146.39 145.0 22.23 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.919 163.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.91 82.84 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.232 2.621 . . . . 0.0 111.573 165.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' ' 25' ' ' GLU . . . 63.84 -170.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 -166.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.63 ' HB3' ' HE3' ' A' ' 50' ' ' MET . 95.1 p -74.19 72.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.108 -174.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 8.4 tp10 54.51 10.89 0.37 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.713 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 1.8 mm-40 -179.61 -85.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.563 -174.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 39.7 tt0 -171.87 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.423 168.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.581 HG21 ' H ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER 77.22 149.33 0.1 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.207 -166.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.714 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG13 ' HG3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' CD1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' O ' HD22 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.764 ' HG ' HD12 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.694 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.714 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.634 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.569 ' O ' HG13 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.63 ' HE3' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.691 HG23 HD12 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.758 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 37' ' ' LEU . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 56' ' ' TYR . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.815 HG23 HG23 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.512 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.571 HG23 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.571 ' HG2' HG23 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.571 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.689 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.504 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 16.1 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.552 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 HD11 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.535 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.764 HD12 ' HG ' ' A' ' 37' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.504 ' HZ ' HD13 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.692 HG11 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.692 ' HD2' HG11 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.517 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HZ1' ' HB3' ' A' ' 94' ' ' LYS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.706 ' HA ' HG21 ' A' ' 99' ' ' ILE . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.951 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.562 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.526 HG21 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.951 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.94 113.37 26.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -137.27 -26.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -81.01 160.27 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 ' N ' ' A' ' 107' ' ' LEU . 3.2 mm? -94.41 50.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 30' ' ' PRO . 21.4 t -127.7 77.67 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.801 HG22 HG13 ' A' ' 110' ' ' VAL . 27.6 m -142.18 -165.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.99 -178.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.811 HG12 ' H ' ' A' ' 111' ' ' ASN . 2.1 p 37.43 -89.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.33 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.811 ' H ' HG12 ' A' ' 110' ' ' VAL . 7.9 t30 52.4 78.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 11.8 pt20 -166.48 168.93 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -104.59 68.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -163.93 95.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t -155.87 -43.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.3 m -135.93 172.88 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -136.46 142.01 43.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -120.27 17.23 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.9 m -124.75 38.92 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t30 56.9 82.04 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -136.21 165.28 26.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.067 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 57.43 85.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -135.89 -16.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -157.23 26.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.53 100.44 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.49 135.88 71.3 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.636 2.224 . . . . 0.0 112.296 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -86.46 -20.03 28.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -157.53 124.65 5.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.61 -38.61 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.554 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.88 -174.04 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.698 0.285 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.838 HG23 ' H ' ' A' ' 15' ' ' THR . 3.7 p -74.29 -157.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.648 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.838 ' H ' HG23 ' A' ' 14' ' ' VAL . 5.2 m -151.19 23.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.728 -174.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.621 ' H ' HG13 ' A' ' 14' ' ' VAL . 58.8 m 63.67 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.312 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -82.83 155.72 24.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 3.5 pt20 -158.48 -149.88 0.23 Allowed 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.449 0.642 . . . . 0.0 111.107 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.494 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -146.34 161.84 37.12 Favored Pre-proline 0 N--CA 1.44 -0.944 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.337 165.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.18 81.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.85 2.366 . . . . 0.0 112.032 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.46 -172.13 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.995 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -107.95 30.87 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 -177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 55.37 95.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 65.19 144.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.768 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.692 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.5 pt-20 -173.94 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.439 . . . . 0.0 111.382 -166.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.692 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 59.2 m -113.71 122.11 46.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -166.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.856 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.783 HG23 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HD3' HG22 ' A' ' 28' ' ' VAL . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.542 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.92 HD13 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.856 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.641 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.652 HG21 HD23 ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.757 HG23 ' HH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.622 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.664 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.634 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.844 HG21 HG22 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.678 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.922 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.541 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.412 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 20.9 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.922 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.844 HG22 HG21 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.523 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD22 ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.719 ' HA3' HD21 ' A' ' 85' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.92 HD22 HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.688 ' N ' ' HG ' ' A' ' 85' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG21 ' HD2' ' A' ' 91' ' ' PHE . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.569 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.502 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG22 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' H ' HG22 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.702 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 1.022 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' HD13 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.516 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 1.022 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.783 ' HE2' HG23 ' A' ' 28' ' ' VAL . 93.4 m-85 -104.86 124.28 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -133.47 165.29 25.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.578 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 58.53 -172.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.1 mt -105.1 89.09 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.83 93.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.435 HG11 HG22 ' A' ' 26' ' ' THR . 28.2 m -139.27 -166.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -52.47 -51.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.23 121.29 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -93.73 -53.62 3.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -99.8 143.88 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.68 -61.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t 56.31 73.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t 60.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.23 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.32 88.76 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.5 m -73.09 174.04 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.887 -179.949 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.92 128.28 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -162.17 137.8 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 m -91.68 97.59 11.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -85.28 91.25 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.2 mtt -135.06 -63.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -157.41 14.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 179.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -133.24 74.06 73.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.256 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.04 137.79 38.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.528 2.152 . . . . 0.0 112.251 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -89.51 123.43 33.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -156.23 143.56 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.83 16.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 132.05 13.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.01 -59.55 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -99.75 173.15 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.021 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -56.58 -61.0 2.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.159 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' HB3' ' HD1' ' A' ' 96' ' ' HIS . 47.4 t -164.06 -47.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 178.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' HD3' ' A' ' 97' ' ' ARG . 8.6 tp-100 -145.95 -46.06 0.2 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.12 0.486 . . . . 0.0 110.103 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 96' ' ' HIS . 21.6 pt -77.92 112.73 27.11 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.577 -156.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 85.8 Cg_endo -83.38 118.88 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.77 2.314 . . . . 0.0 112.268 -179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 152.33 40.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t 60.54 20.61 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.12 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.562 ' HG3' ' HB2' ' A' ' 20' ' ' PRO . 14.6 mm-40 -112.36 -72.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 176.323 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -115.53 87.27 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.491 173.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 26' ' ' THR . 29.7 tt0 -108.95 -105.42 0.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 -173.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.721 HG22 HG13 ' A' ' 28' ' ' VAL . 12.1 t 159.85 178.85 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -164.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.804 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.604 HD11 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.804 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.732 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.475 ' HZ1' ' HG3' ' A' ' 52' ' ' GLU . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.732 ' OH ' ' HG3' ' A' ' 39' ' ' LYS . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.536 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.645 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.648 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.65 ' HB3' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.654 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.648 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' CD2' HD21 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.708 HG21 HG13 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 HD23 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.484 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.606 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.606 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.708 HG13 HG21 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.56 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.717 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD23 ' A' ' 66' ' ' LEU . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.687 HD12 HD13 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.777 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' OD1' HD22 ' A' ' 34' ' ' LEU . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.777 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.686 ' HB3' HG21 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.717 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.584 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.659 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 18' ' ' GLN . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.834 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.643 ' CD1' HG21 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.834 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.431 ' HE1' HG23 ' A' ' 28' ' ' VAL . 64.7 m-85 -91.09 134.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -168.77 16.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 177.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -121.47 89.69 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -178.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.98 -168.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 177.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.13 160.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.7 m -140.96 -26.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.5 p -85.34 -32.12 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -177.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -153.57 119.94 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.938 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -74.92 117.07 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -146.49 140.95 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -108.54 137.74 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.2 p -103.69 -35.77 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.1 p -162.68 -61.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -160.93 21.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.2 p -86.5 -22.46 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m -134.88 -1.06 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 56.52 33.75 23.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.783 179.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -95.13 145.46 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -150.53 -39.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.1 tpp -100.18 99.05 9.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -127.54 -18.64 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.14 93.6 22.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.66 -30.83 17.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -125.84 112.76 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.94 -179.38 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.76 112.24 4.81 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.401 179.237 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.87 132.47 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.079 -179.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.663 HG13 ' H ' ' A' ' 15' ' ' THR . 2.4 t -107.2 175.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.621 178.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.663 ' H ' HG13 ' A' ' 14' ' ' VAL . 83.7 m -54.36 101.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.04 178.733 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -104.16 126.0 50.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -177.136 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -95.36 -174.34 3.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.417 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 64.5 tt0 -140.31 -43.83 0.41 Allowed 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.101 0.476 . . . . 0.0 110.23 179.347 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.484 HD11 ' HB2' ' A' ' 96' ' ' HIS . 23.6 pt -73.78 106.25 2.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.652 -155.214 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.534 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 52.8 Cg_endo -92.8 130.62 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.156 2.571 . . . . 0.0 112.414 -178.309 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 147.68 52.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.028 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 t 60.95 17.08 7.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 178.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.534 ' HG2' ' HG2' ' A' ' 20' ' ' PRO . 10.2 tp10 -102.61 -76.14 0.59 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 175.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 50' ' ' MET . 94.8 mt-30 -89.21 66.27 7.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.555 171.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.54 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.9 tt0 -81.58 -83.2 0.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 -171.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.554 HG21 HG11 ' A' ' 110' ' ' VAL . 88.3 m 77.22 125.96 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.294 -177.738 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HD3' ' CG1' ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' C ' HD12 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.698 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.74 ' HG2' HD21 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.935 HD23 HD21 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.798 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' H ' ' CG2' ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.798 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' O ' ' OG1' ' A' ' 47' ' ' THR . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 46' ' ' ASP . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.633 ' CE2' HD11 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.544 ' O ' HG11 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.623 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.572 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.67 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.682 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.596 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.791 HG22 HG22 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.749 HG21 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.749 ' HG2' HG21 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.645 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 4.4 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.518 ' HA ' HG22 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.791 HG22 HG22 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.731 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD21 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.935 HD21 HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.561 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.698 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.698 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.499 ' HD2' HG11 ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.731 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.845 ' HA ' HG23 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.694 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.694 ' H ' ' HG3' ' A' ' 97' ' ' ARG . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 1.028 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.673 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 1.028 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.434 ' CE1' ' HE1' ' A' ' 50' ' ' MET . 55.0 m-85 -102.51 97.13 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -141.06 130.44 23.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 178.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.5 m120 57.5 -150.72 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.742 -178.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.1 mt 67.05 175.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 176.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.83 98.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.324 -175.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.659 HG22 ' H ' ' A' ' 111' ' ' ASN . 27.0 m -87.21 -159.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 174.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.554 HG11 HG21 ' A' ' 26' ' ' THR . 14.3 p -63.99 -26.9 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.659 ' H ' HG22 ' A' ' 109' ' ' VAL . 46.5 t30 63.91 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.061 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 62.96 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -58.35 147.32 31.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.8 83.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -178.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -153.86 41.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.7 t 57.44 56.95 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.82 87.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.036 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.7 t 60.72 177.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.053 178.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.97 -179.81 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.15 93.51 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -115.56 105.57 12.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -88.74 136.18 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -97.31 35.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.5 mtp 57.41 80.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.055 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 t 57.19 89.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.69 110.94 2.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.17 -52.26 1.23 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 0.0 112.174 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 t -166.14 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -96.72 135.43 38.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.51 -89.46 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.26 -175.82 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG23 ' H ' ' A' ' 15' ' ' THR . 8.1 p -91.84 -139.85 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.774 ' H ' HG23 ' A' ' 14' ' ' VAL . 5.6 t 36.0 62.77 0.64 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.866 -176.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLN . 76.8 p -98.25 63.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 177.429 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p 48.88 -89.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.51 -178.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' THR . 8.7 tt0 -157.57 -63.29 0.09 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.453 0.644 . . . . 0.0 109.854 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.49 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.26 135.13 22.5 Favored Pre-proline 0 N--CA 1.44 -0.956 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.134 -149.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 54.5 Cg_endo -96.12 56.89 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.738 2.959 . . . . 0.0 112.662 -170.043 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.415 ' N ' HD11 ' A' ' 19' ' ' ILE . . . -165.56 20.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HG ' HD11 ' A' ' 54' ' ' LEU . 34.3 t -149.94 -27.45 0.25 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.752 178.67 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB3' ' OE1' ' A' ' 24' ' ' GLN . 12.5 mm-40 -59.79 -69.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 177.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.45 ' OE1' ' HB3' ' A' ' 23' ' ' GLU . 23.8 mp0 -140.39 134.16 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.543 ' CD ' ' HG3' ' A' ' 50' ' ' MET . 5.6 pt-20 -179.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.384 -177.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 HG22 ' A' ' 109' ' ' VAL . 22.2 m -144.03 169.55 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.323 -162.34 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.752 ' HG ' HG21 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.678 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.849 HD12 HD13 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.627 ' H ' HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.721 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.774 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.504 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' H ' ' HB2' ' A' ' 45' ' ' LYS . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.587 ' CE2' HD13 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.664 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.694 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.603 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.579 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.774 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.461 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.833 HD13 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.461 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.536 HG21 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' N ' HG21 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD23 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.921 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.519 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.921 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.647 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.57 ' OD1' HD23 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD13 HD12 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.627 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.691 HG22 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.647 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.643 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.833 ' HZ ' HD13 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.635 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 19' ' ' ILE . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.674 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.476 ' CD1' HD13 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.505 HG21 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' A' ' 98' ' ' LYS . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.498 ' HE2' HG13 ' A' ' 28' ' ' VAL . 89.2 m-85 -99.05 121.91 41.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -140.43 -26.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -90.07 168.18 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.88 81.84 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -178.193 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.45 26.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.048 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.629 HG22 HG22 ' A' ' 26' ' ' THR . 8.5 p -131.58 152.64 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.878 -178.135 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.87 138.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.277 -178.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -92.58 154.3 18.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -178.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.59 132.91 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 60.48 -179.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -91.22 34.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.001 -177.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -92.3 107.57 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -87.28 -70.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 54.95 47.55 21.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -88.04 -17.11 31.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.909 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.9 t -76.26 -51.01 12.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.59 120.58 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p 51.03 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -116.23 -25.38 7.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.4 mtm 62.36 -83.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 178.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.9 m 56.45 41.48 28.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 t -87.7 124.53 67.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.94 99.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.575 2.184 . . . . 0.0 112.395 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -131.71 126.05 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.56 151.45 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.53 78.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.03 139.38 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.098 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -114.33 -39.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 m -147.18 -63.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m 57.31 95.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.244 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 91.7 p 51.61 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -151.55 -42.33 0.11 Allowed 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.104 0.478 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 19' ' ' ILE . 44.0 pt -75.54 122.71 87.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.447 -156.22 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.89 4.67 6.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.608 2.206 . . . . 0.0 112.622 -176.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.16 179.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.495 -178.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m 53.78 22.05 3.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.281 174.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -128.3 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.13 46.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.618 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.6 tt0 -59.76 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 -177.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.7 m 77.31 113.89 0.07 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.319 179.022 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG13 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.891 ' HD3' HG13 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.795 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.854 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.854 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD21 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.712 HD13 HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB1' ' HH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HZ2' ' HG2' ' A' ' 52' ' ' GLU . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.803 ' HE2' HD21 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.476 HG22 HD21 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.63 ' HE1' ' HB ' ' A' ' 103' ' ' ILE . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.635 HG13 HD13 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.668 ' HA ' ' HH ' ' A' ' 100' ' ' TYR . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.712 HD11 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.516 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.631 ' HB2' HG23 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.419 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.526 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 73' ' ' HIS . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.648 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.559 ' SG ' HD11 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.432 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.64 HD23 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.458 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.64 ' HB2' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' ' HE1' ' A' ' 102' ' ' MET . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.75 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.628 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.73 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.75 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.542 HG12 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 17' ' ' SER . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.855 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.668 ' HH ' ' HA ' ' A' ' 54' ' ' LEU . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.855 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.63 ' HB ' ' HE1' ' A' ' 50' ' ' MET . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.519 ' HD2' ' HE2' ' A' ' 50' ' ' MET . 12.8 p90 -124.83 146.19 49.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -127.88 -62.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.795 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -169.45 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.17 9.35 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.27 35.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -119.75 -174.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.298 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.97 154.2 8.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.03 146.07 39.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -147.65 127.79 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -92.76 132.67 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.25 120.66 6.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.3 83.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.079 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.9 t -113.82 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -147.97 -21.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.6 m -75.96 163.21 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.045 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.842 ' HD3' HG12 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.695 ' HD1' HD23 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.795 HG23 HG21 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 74' ' ' ILE . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' A' ' 92' ' ' SER . 3.6 p-80 -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.795 HG21 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.673 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' OD1' HD22 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.443 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.867 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.673 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.867 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.678 ' HA ' HG22 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.685 ' O ' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.636 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 28' ' ' VAL . 2.1 m . . . . . 0 CA--C 1.517 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.827 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' HG12 ' A' ' 28' ' ' VAL . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD21 HD22 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.771 ' CE1' HD23 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.827 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 HD11 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.685 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 45.0 mm-40 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.699 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.573 ' N ' HG22 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' C ' HD22 ' A' ' 66' ' ' LEU . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.682 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 36' ' ' LYS . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.875 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.758 ' HG ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.5 ' H ' ' HB2' ' A' ' 86' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.682 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 73' ' ' HIS . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.686 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.742 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.742 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 49' ' ' THR . 54.5 m . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.886 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HE ' HD12 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.777 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.693 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HA ' ' OH ' ' A' ' 104' ' ' TYR . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 38' ' ' LEU . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.672 ' HB3' HG11 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.742 HG22 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.544 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 37.8 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 80.4 m-70 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.701 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.679 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 36' ' ' LYS . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.446 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.764 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.679 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.729 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.729 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 99' ' ' ILE . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.764 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.463 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 50' ' ' MET . 2.0 m . . . . . 0 C--O 1.232 0.172 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.603 HG12 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD3' HG12 ' A' ' 28' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.812 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.81 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 29' ' ' ARG . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.812 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HD1' HD23 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HG11 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.577 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.759 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' HG23 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.759 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.715 HG11 HG23 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.563 ' HA ' HD12 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.874 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.521 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 HD13 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG13 ' A' ' 88' ' ' VAL . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.594 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.586 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.624 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.682 HD11 ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.435 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 81.4 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.734 HG21 HG12 ' A' ' 28' ' ' VAL . 12.2 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 34' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CE1' HD23 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.659 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.695 ' H ' HG22 ' A' ' 26' ' ' THR . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.686 HD21 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.748 ' HB2' HG21 ' A' ' 41' ' ' VAL . 32.6 mm-40 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.714 HG23 HG11 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.485 ' HB3' ' CE1' ' A' ' 73' ' ' HIS . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.673 ' O ' ' HA ' ' A' ' 92' ' ' SER . 28.9 p-80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.714 HG11 HG23 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.608 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.613 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.546 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.664 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.857 ' HB3' HG21 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.638 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.638 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 HG12 ' A' ' 28' ' ' VAL . 4.4 t . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.756 HG12 HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.752 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.896 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' H ' ' H ' ' A' ' 45' ' ' LYS . 53.4 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' NZ ' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.646 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.629 ' HE1' ' HB3' ' A' ' 100' ' ' TYR . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.832 HG23 HD11 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG23 ' A' ' 41' ' ' VAL . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.764 ' H ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.851 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 57.0 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 9.0 p-80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.851 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.777 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.73 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.588 ' SG ' HD12 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.592 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' A' ' 99' ' ' ILE . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.592 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.733 HG22 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.777 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.69 ' HE1' HG13 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.756 ' O ' HD11 ' A' ' 99' ' ' ILE . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.629 ' HB3' ' HE1' ' A' ' 50' ' ' MET . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.68 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 28' ' ' VAL . 52.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.622 HG21 HG23 ' A' ' 28' ' ' VAL . 8.6 t . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.588 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.622 HG23 HG21 ' A' ' 26' ' ' THR . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.811 HD23 ' CE2' ' A' ' 48' ' ' TYR . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.677 ' H ' HG22 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.672 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.609 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.782 HG23 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.88 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 95.6 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 92' ' ' SER . 31.1 p-80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.88 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.76 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HB2' HD12 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 73' ' ' HIS . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.749 ' HA ' HG22 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.672 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.37 0.128 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' C ' HD22 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.911 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 37' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.916 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.911 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.789 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.78 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG13 HD23 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.567 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.62 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.916 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.777 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.812 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.525 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' HD23 ' A' ' 37' ' ' LEU . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.773 ' HB3' HG13 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.603 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.615 ' O ' ' HG3' ' A' ' 102' ' ' MET . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.682 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.682 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.579 HD13 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.0 m . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' HD21 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 35' ' ' LEU . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.91 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 59' ' ' GLN . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.91 ' HE2' HD23 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.681 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' OH ' HD23 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.783 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.535 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.844 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.603 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.566 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.667 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.667 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.867 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.678 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.712 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG23 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.712 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 28' ' ' VAL . 52.9 m . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.8 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 37' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.721 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.8 ' CE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 50' ' ' MET . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.636 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.877 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.877 HD12 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.839 ' HG2' HG22 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.749 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 78.8 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 61' ' ' ILE . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' HD11 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HB3' HG13 ' A' ' 88' ' ' VAL . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.72 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.852 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 102' ' ' MET . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.852 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.485 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.62 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HE1' HD21 ' A' ' 54' ' ' LEU . 74.2 m-85 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 HG23 ' A' ' 28' ' ' VAL . 6.3 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.764 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 13.5 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.627 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 35' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.651 ' H ' HG22 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.633 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.671 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.605 ' O ' HG22 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.631 HG23 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 96.3 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.781 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' OD2' HD22 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.95 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 80' ' ' ASP . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.95 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HE1' HD12 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.747 ' HB3' HG21 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.633 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.554 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.461 ' HE1' HG11 ' A' ' 28' ' ' VAL . 88.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.583 HG21 ' HB ' ' A' ' 28' ' ' VAL . 19.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.845 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.845 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 85' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD23 ' CD2' ' A' ' 38' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.769 ' CE1' HD12 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.856 HG13 HD11 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 75' ' ' VAL . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.772 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.711 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 92' ' ' SER . 92.6 m-70 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.658 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.658 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.656 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.656 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB ' ' A' ' 53' ' ' VAL . 95.9 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 28' ' ' VAL . 44.3 m . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 120.76 0.314 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 35' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.788 ' H ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.854 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.491 HG22 ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.612 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG11 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 1.011 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.544 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.854 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' HA ' HG22 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 HG11 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.867 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.492 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.867 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.773 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.607 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.627 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.623 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.544 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.572 ' O ' HG13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.62 HG23 HD13 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.437 ' OH ' HG11 ' A' ' 53' ' ' VAL . 80.2 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.699 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.944 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.864 ' HG3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.7 HG23 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.848 HD11 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.597 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.635 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.001 HD12 HD23 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.653 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.644 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.728 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.676 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.676 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.462 ' HE1' HG21 ' A' ' 28' ' ' VAL . 94.2 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 29.1 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.813 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' A' ' 47' ' ' THR . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HA ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 ' HB3' HD21 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.801 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.871 HD11 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.407 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.813 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.812 ' HG3' HG22 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HD1' ' A' ' 55' ' ' PHE . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.651 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD22 HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' HG22 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.826 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 78.2 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG23 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.826 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.668 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.578 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.666 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.668 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CD1' HD11 ' A' ' 99' ' ' ILE . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.764 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 95' ' ' GLU . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.671 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.671 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.853 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.749 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HD3' HG22 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.596 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.902 HD21 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.898 HD23 HD12 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 27' ' ' LEU . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.853 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.7 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.719 HG23 HG21 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.694 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 63' ' ' THR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.682 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 46.6 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.719 HG21 HG23 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.931 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.902 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.472 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.476 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.67 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.888 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.888 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.72 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.658 HG21 ' HB ' ' A' ' 28' ' ' VAL . 5.4 m . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HG2' HD11 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.645 ' CE2' HD23 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.603 ' H ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.914 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.736 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.68 ' HB3' HG11 ' A' ' 41' ' ' VAL . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HG22 ' A' ' 63' ' ' THR . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.779 HG23 HG11 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.842 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 73' ' ' HIS . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.678 ' O ' ' HA ' ' A' ' 92' ' ' SER . 37.6 p-80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.842 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.523 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.815 ' HB3' HG23 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.701 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.663 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.997 ' HA ' HD12 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.751 ' HG2' ' HE2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 1.076 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.533 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 98' ' ' LYS . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 1.076 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' OH ' ' HA ' ' A' ' 50' ' ' MET . 97.1 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.691 HG21 HG12 ' A' ' 28' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.086 0.47 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.691 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.825 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.684 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.673 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.825 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.831 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.703 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.755 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.613 ' HA ' HG22 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.635 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.497 ' HD1' HG23 ' A' ' 99' ' ' ILE . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.554 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.667 ' HG3' ' HZ ' ' A' ' 86' ' ' PHE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.537 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG12 ' HD3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.735 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.778 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HG3' HG21 ' A' ' 41' ' ' VAL . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.706 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.817 HG23 HG21 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.561 HG22 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.709 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.51 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 76.0 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.817 HG21 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.555 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HD12 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 HD23 ' A' ' 82' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HZ ' HD11 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.676 ' HD2' HG12 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.437 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.632 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.64 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 49' ' ' THR . 59.2 m . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 120.312 0.101 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.789 HG21 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HD2' ' A' ' 32' ' ' PRO . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' H ' ' H ' ' A' ' 45' ' ' LYS . 53.1 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 44' ' ' GLN . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.865 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 26' ' ' THR . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.937 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.548 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 70.3 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.548 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.937 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.883 HG21 HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.757 ' H ' HD13 ' A' ' 37' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.592 ' H ' HD11 ' A' ' 82' ' ' LEU . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.503 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' H ' HG23 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.758 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.789 ' HE2' HG21 ' A' ' 28' ' ' VAL . 93.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.718 HG21 HG12 ' A' ' 28' ' ' VAL . 12.1 t . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.718 HG12 HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.815 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.813 HD12 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' LYS . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 35' ' ' LEU . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.486 ' H ' HG22 ' A' ' 26' ' ' THR . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.732 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CD2' HD22 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.694 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.612 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 43.3 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 75' ' ' VAL . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.79 HG21 HG22 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.736 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 77' ' ' CYS . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.72 ' HB3' HG23 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.736 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.604 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' HG3' ' HG3' ' A' ' 98' ' ' LYS . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.642 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.612 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.432 ' HE1' HG21 ' A' ' 28' ' ' VAL . 64.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' C ' HD13 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HG2' HD22 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.81 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.692 ' H ' HG22 ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.81 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.784 ' CE2' HD12 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.629 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.764 ' HB3' HG21 ' A' ' 41' ' ' VAL . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.61 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.75 HG23 HG21 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.769 HG23 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.769 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.701 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 28.5 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.75 HG21 HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.75 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.707 HD11 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.745 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.75 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.838 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.689 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' A' ' 102' ' ' MET . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.692 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.705 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 27' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.633 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.66 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.716 ' HB2' HD12 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.714 ' CE2' HD12 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.658 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.757 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.578 HD21 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.933 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 16.7 mp0 -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.933 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD21 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD12 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.567 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.633 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.663 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HZ ' HD12 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.777 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.501 ' CD1' HD12 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.777 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.505 ' HE2' HG11 ' A' ' 28' ' ' VAL . 89.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.905 HG12 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.905 ' HD3' HG12 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.858 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.877 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.877 ' HE2' HD23 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 HD22 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 50' ' ' MET . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.622 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 90' ' ' SER . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.421 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.652 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HE2' HD13 ' A' ' 99' ' ' ILE . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.643 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.742 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.766 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.551 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.807 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 103' ' ' ILE . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.546 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.807 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 99' ' ' ILE . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 101' ' ' THR . 12.8 p90 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.1 p -146.71 -16.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -98.11 12.9 32.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -96.43 104.97 16.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -131.21 -24.13 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.4 ttp -145.82 11.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t 61.51 176.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.05 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG22 ' H ' ' A' ' 10' ' ' THR . 5.8 p -135.26 128.39 18.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.9 24.69 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.666 2.244 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.605 ' H ' HG22 ' A' ' 8' ' ' VAL . 60.9 m -129.13 106.19 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 56.62 33.1 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.84 16.58 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.7 t -75.66 -67.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 41.3 m -128.39 144.34 51.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -88.05 21.76 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 15' ' ' THR . 57.9 m -91.14 167.86 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 97' ' ' ARG . 23.0 tp60 -162.87 -56.32 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.534 0.683 . . . . 0.0 110.042 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.535 HG12 ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -114.92 139.63 24.48 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.909 -148.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.683 ' HB3' ' HB2' ' A' ' 24' ' ' GLN . 23.1 Cg_exo -66.16 96.2 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.096 2.53 . . . . 0.0 112.129 -174.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 54' ' ' LEU . . . -163.51 18.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.742 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -176.7 -53.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.75 -47.83 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.403 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . 48.4 mt-30 -108.77 85.31 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.346 171.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 26' ' ' THR . 33.0 tt0 -78.04 -79.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.404 -166.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.9 m 85.0 126.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.439 0.462 . . . . 0.0 110.576 -173.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.842 ' HD3' HG12 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.577 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.695 ' HD1' HD23 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.795 HG23 HG21 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 74' ' ' ILE . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' A' ' 92' ' ' SER . 3.6 p-80 -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.795 HG21 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.673 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' OD1' HD22 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.443 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.867 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.673 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.867 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.678 ' HA ' HG22 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.543 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.685 ' O ' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.636 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 -85.78 86.55 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -68.19 -72.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.125 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.51 -81.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -172.42 146.71 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 30' ' ' PRO . 4.0 p -176.15 111.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG21 ' A' ' 26' ' ' THR . 29.5 m -142.91 -174.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -55.35 144.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.4 -70.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.017 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 57.42 93.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.26 148.33 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -131.74 176.64 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.0 p -136.21 146.58 46.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -87.56 40.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.93 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -93.12 92.13 7.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -105.18 -22.37 13.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -92.81 136.49 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.6 m -109.02 94.49 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -160.3 129.07 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.36 48.11 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -105.64 137.82 42.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 p -147.49 94.9 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.42 -178.27 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m 66.23 129.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.319 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.91 133.0 54.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.94 -134.67 0.37 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.58 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.18 -173.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 111.218 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.77 -72.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -94.76 149.17 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -135.26 149.91 49.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t 61.97 173.45 0.13 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.017 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HG3' HG23 ' A' ' 19' ' ' ILE . 3.6 pt20 -150.41 -41.5 0.13 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.778 HG23 ' HG3' ' A' ' 18' ' ' GLN . 22.5 pt -78.65 110.26 13.53 Favored Pre-proline 0 N--CA 1.445 -0.677 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.499 -155.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 144.01 98.74 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 161.81 28.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.8 m 61.25 11.83 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.034 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.2 -76.58 0.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' MET . 96.3 mt-30 -97.47 63.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 169.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.666 ' O ' ' HB ' ' A' ' 26' ' ' THR . 36.0 tt0 -57.12 -58.59 7.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -173.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.666 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.1 m 84.51 -39.11 0.06 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 168.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.827 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' HG12 ' A' ' 28' ' ' VAL . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD21 HD22 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.771 ' CE1' HD23 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.827 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 HD11 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.685 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 45.0 mm-40 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.699 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' N ' HG22 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' C ' HD22 ' A' ' 66' ' ' LEU . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.682 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 36' ' ' LYS . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.875 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.758 ' HG ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.5 ' H ' ' HB2' ' A' ' 86' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.682 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 73' ' ' HIS . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.686 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.742 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.742 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 -87.13 78.9 8.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -132.35 65.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.36 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -133.68 177.87 7.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.908 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 107' ' ' LEU . 5.9 mp -117.77 44.75 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.48 -20.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.103 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG23 ' H ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -54.43 -87.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.478 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.682 ' H ' HG23 ' A' ' 109' ' ' VAL . 56.5 t -65.78 137.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.59 88.49 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -74.05 94.46 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -132.06 107.6 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -125.24 134.93 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -99.51 73.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.1 t 56.71 86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.12 134.33 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -97.5 103.8 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.018 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.2 m -139.56 14.2 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -119.04 36.82 4.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -156.87 132.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.019 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -101.82 114.29 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.36 82.11 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 t -110.0 -60.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.9 p -144.44 89.54 6.86 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.24 -62.39 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.689 2.259 . . . . 0.0 112.263 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -139.26 164.49 29.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -110.96 29.07 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.67 102.45 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.19 131.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.37 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -105.67 172.82 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.649 ' H ' HG12 ' A' ' 14' ' ' VAL . 69.6 m -72.73 105.44 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.061 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -143.76 178.55 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' A' ' 23' ' ' GLU . 80.9 p -58.99 173.64 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.017 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -145.9 -40.81 0.22 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.186 0.517 . . . . 0.0 110.389 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.486 HD11 ' CE ' ' A' ' 50' ' ' MET . 3.0 pt -74.67 158.52 84.77 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.131 -155.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.58 83.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.477 2.118 . . . . 0.0 112.229 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' ' HE1' ' A' ' 50' ' ' MET . . . -170.92 -169.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -175.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -110.69 26.99 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 40.3 tt0 55.87 94.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.031 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 64.02 146.99 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -175.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.753 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.3 pt-20 -177.3 -63.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 0.0 111.472 -168.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.753 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 54.5 m -109.38 119.2 38.75 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.749 -167.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.886 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HE ' HD12 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.777 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.693 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 19' ' ' ILE . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD3' ' HB2' ' A' ' 24' ' ' GLN . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 38' ' ' LEU . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.672 ' HB3' HG11 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.742 HG22 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 37.8 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 80.4 m-70 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.701 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.679 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 36' ' ' LYS . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.446 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.764 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.679 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.729 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.729 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 99' ' ' ILE . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.764 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.463 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 -81.76 128.22 33.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -146.28 -28.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.737 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.52 155.61 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 26.1 tp -88.76 12.22 15.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.1 m -61.41 118.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 26' ' ' THR . 30.5 m -144.59 -165.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.25 -70.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.263 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 61.54 -84.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.12 122.42 16.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.988 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -135.44 -76.26 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 53.44 81.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m 56.43 30.12 16.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t 61.55 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.203 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.19 56.07 7.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.043 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -65.56 96.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.884 179.754 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.22 127.73 45.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -96.02 15.5 20.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 6' ' ' MET . 55.4 m -104.92 139.04 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.064 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -102.99 30.2 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.666 ' H ' HG22 ' A' ' 4' ' ' THR . 16.1 tpt -88.76 -63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -110.25 26.15 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.75 127.19 25.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 143.46 48.44 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.492 2.128 . . . . 0.0 112.415 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.4 p -106.27 4.52 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.51 137.09 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.56 2.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.26 140.39 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -118.5 -42.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.8 m -146.51 94.29 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -137.21 14.95 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.075 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -145.75 -172.5 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.815 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' OE1' ' HB2' ' A' ' 96' ' ' HIS . 35.7 tt0 -163.9 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.568 0.699 . . . . 0.0 110.157 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.18 132.65 23.88 Favored Pre-proline 0 N--CA 1.435 -1.209 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.639 -167.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 30.7 Cg_exo -64.67 151.74 84.54 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.164 2.576 . . . . 0.0 112.853 -160.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.61 -161.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.9 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -84.14 -51.62 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.226 172.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HB3' ' OE2' ' A' ' 25' ' ' GLU . 9.4 tp10 -158.03 54.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.151 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 50.56 37.39 15.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.062 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.694 ' HA ' ' H ' ' A' ' 50' ' ' MET . 6.3 pt-20 -151.94 -43.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.172 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.544 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.0 m 72.97 -38.73 0.43 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.992 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.603 HG12 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.669 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.812 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 29' ' ' ARG . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.812 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 25' ' ' GLU . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.694 ' H ' ' HA ' ' A' ' 25' ' ' GLU . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HD1' HD23 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HG11 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.577 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.759 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' HG23 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.759 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.715 HG11 HG23 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.563 ' HA ' HD12 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.874 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.521 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 HD13 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG13 ' A' ' 88' ' ' VAL . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.594 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.586 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.624 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.682 HD11 ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.493 ' HA ' HG11 ' A' ' 108' ' ' VAL . 81.4 m-85 -111.06 84.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -86.64 -79.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 -176.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -134.79 143.46 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.0 mt 55.09 67.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.014 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.669 ' HA ' ' HB3' ' A' ' 30' ' ' PRO . 7.2 p -157.51 -32.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 26' ' ' THR . 8.7 p -95.81 147.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.38 139.05 16.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.17 156.11 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -86.48 46.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.69 -27.23 10.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.3 p -65.17 120.96 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.0 t -107.5 109.29 20.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.99 14.35 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -97.55 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.002 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -99.22 25.35 6.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.991 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -137.53 117.43 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.3 m -141.38 -31.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.3 t30 61.27 -85.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.253 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.6 ptm -169.84 -169.78 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.3 p -61.23 157.45 16.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 10' ' ' THR . 5.5 p -105.73 125.06 34.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 31.2 Cg_exo -59.81 -32.26 95.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.25 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 8' ' ' VAL . 53.5 m 54.93 88.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.05 134.67 35.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.34 51.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.02 -6.62 53.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -53.79 157.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.407 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 55.2 m -93.65 89.47 6.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.039 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.3 m -115.72 -41.11 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -74.94 -167.9 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.776 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 6.9 tp60 -151.25 -62.72 0.18 Allowed 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.614 0.721 . . . . 0.0 109.78 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 tt -106.72 137.57 19.52 Favored Pre-proline 0 N--CA 1.44 -0.965 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.76 -153.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' GLU . 16.1 Cg_exo -69.26 105.16 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.114 2.543 . . . . 0.0 112.312 -169.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 150.63 46.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.974 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 59.86 14.64 4.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 10.2 tp10 -107.1 -62.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -116.46 90.6 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.377 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 39.4 tt0 -104.42 -103.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -169.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.734 HG21 HG12 ' A' ' 28' ' ' VAL . 12.2 t 159.53 178.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 -163.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 34' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CE1' HD23 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.659 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.702 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.686 HD21 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.748 ' HB2' HG21 ' A' ' 41' ' ' VAL . 32.6 mm-40 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.714 HG23 HG11 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.485 ' HB3' ' CE1' ' A' ' 73' ' ' HIS . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.673 ' O ' ' HA ' ' A' ' 92' ' ' SER . 28.9 p-80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.714 HG11 HG23 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.608 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.613 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.546 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.664 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.857 ' HB3' HG21 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.638 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.638 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 -92.0 99.81 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.99 123.65 50.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 55.8 33.74 22.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 107' ' ' LEU . 2.5 pt? -59.66 140.46 56.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG12 ' A' ' 109' ' ' VAL . 91.8 t -80.29 -50.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.972 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 110' ' ' VAL . 1.1 p 52.68 177.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.772 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.673 ' H ' HG22 ' A' ' 109' ' ' VAL . 44.8 t -126.86 140.24 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.807 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.522 ' OD1' HG12 ' A' ' 110' ' ' VAL . 19.5 m120 56.19 79.78 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.481 ' CD ' ' H ' ' A' ' 112' ' ' GLN . 5.3 pm0 -102.42 145.99 28.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -92.8 14.78 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -119.99 130.75 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.1 p -79.33 121.24 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 m -87.41 157.75 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -135.91 19.8 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -142.09 -63.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.824 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.773 0.32 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t 62.45 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -159.51 -22.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.913 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -67.32 147.63 52.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -141.39 -40.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.7 ttt 55.21 86.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -106.86 84.75 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 11' ' ' ASP . 29.6 m -135.36 136.7 24.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.54 -7.1 19.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.608 2.206 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -98.02 -35.15 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.598 ' H ' HG23 ' A' ' 8' ' ' VAL . 9.9 m-20 53.46 83.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 133.87 6.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.554 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 159.95 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.125 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -79.69 172.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.739 HG23 ' HA ' ' A' ' 109' ' ' VAL . 18.6 m -89.64 146.17 24.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.667 HG23 ' HB3' ' A' ' 104' ' ' TYR . 91.4 m -148.64 148.47 30.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 0.0 111.511 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.705 ' H ' ' HB3' ' A' ' 104' ' ' TYR . 8.6 p -151.3 -160.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.777 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 17.0 pt20 -168.94 -145.67 0.05 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 121.334 0.588 . . . . 0.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.678 ' O ' HG12 ' A' ' 19' ' ' ILE . 3.6 tt -179.07 59.14 0.11 Allowed Pre-proline 0 N--CA 1.436 -1.126 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.756 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 18' ' ' GLN . 11.9 Cg_endo -54.94 -7.86 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 123.333 2.689 . . . . 0.0 112.892 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.4 10.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.226 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 19' ' ' ILE . 37.7 t 62.07 10.98 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.589 -172.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -103.25 -7.7 20.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.607 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -132.13 82.01 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.907 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 36.5 tt0 -94.33 -97.57 0.15 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.332 -161.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.879 HG22 ' HG2' ' A' ' 25' ' ' GLU . 4.4 t 169.14 172.36 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 -161.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' H ' HG21 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.756 HG12 HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' H ' HG21 ' A' ' 15' ' ' THR . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.752 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.896 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' H ' ' H ' ' A' ' 45' ' ' LYS . 53.4 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' NZ ' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.646 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.907 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.832 HG23 HD11 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG23 ' A' ' 41' ' ' VAL . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.764 ' H ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.851 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 57.0 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 9.0 p-80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.851 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.777 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.73 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.588 ' SG ' HD12 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.592 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' A' ' 99' ' ' ILE . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.592 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.733 HG22 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.777 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.69 ' HE1' HG13 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.756 ' O ' HD11 ' A' ' 99' ' ' ILE . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 54' ' ' LEU . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.68 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.705 ' HB3' ' H ' ' A' ' 17' ' ' SER . 52.5 m-85 -117.14 104.46 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.25 -85.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.423 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' HG12 ' A' ' 108' ' ' VAL . 81.1 m-20 -70.28 96.45 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.982 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.83 113.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.267 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 106' ' ' ASN . 3.8 p -174.31 92.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.292 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.767 HG13 ' H ' ' A' ' 110' ' ' VAL . 1.3 p -110.56 -75.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.108 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.767 ' H ' HG13 ' A' ' 109' ' ' VAL . 57.8 t -85.66 142.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.998 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.14 -73.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.095 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HG3' HG12 ' A' ' 110' ' ' VAL . 26.5 mt-30 56.29 71.91 0.53 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.04 -38.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.24 96.83 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.818 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.8 m -98.73 117.52 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -151.2 -15.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.43 165.66 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -148.04 113.06 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.047 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 1' ' ' MET . 43.8 ttp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.4 p 47.02 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.448 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -145.42 38.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -76.31 135.43 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -135.61 -25.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -133.03 138.07 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -146.7 85.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.32 135.27 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 135.55 16.47 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.578 2.185 . . . . 0.0 112.309 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.88 -28.14 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -93.61 141.25 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.779 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.56 12.55 60.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.533 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.18 132.26 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.081 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.87 -67.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 15' ' ' THR . 4.0 m -121.05 28.5 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.743 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.7 m 64.69 -81.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.41 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -115.79 -178.37 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 24.3 tp60 -138.64 -44.82 0.49 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.977 177.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.737 ' N ' ' HD2' ' A' ' 20' ' ' PRO . 32.4 pt -79.5 -26.57 0.47 Allowed Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.159 -159.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.737 ' HD2' ' N ' ' A' ' 19' ' ' ILE . 70.7 Cg_endo -74.91 24.69 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.454 2.103 . . . . 0.0 112.257 173.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 19' ' ' ILE . . . -73.77 -143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' A' ' 25' ' ' GLU . 42.4 t -73.11 0.68 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.815 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 40.6 tt0 52.78 88.57 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 -174.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HB2' ' HG3' ' A' ' 51' ' ' LYS . 64.9 tt0 63.33 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.583 -165.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.0 pt-20 -172.04 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.029 0.442 . . . . 0.0 111.07 -171.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.622 HG21 HG23 ' A' ' 28' ' ' VAL . 8.6 t -87.7 -170.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.343 -163.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.588 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.622 HG23 HG21 ' A' ' 26' ' ' THR . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.811 HD23 ' CE2' ' A' ' 48' ' ' TYR . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.677 ' H ' HG22 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HG3' ' HB2' ' A' ' 24' ' ' GLN . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.672 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.609 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.782 HG23 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.88 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 95.6 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 92' ' ' SER . 31.1 p-80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.88 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.76 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HB2' HD12 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 73' ' ' HIS . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.749 ' HA ' HG22 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.672 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -97.85 -81.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 58.46 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -118.11 82.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.9 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 tp -127.2 150.29 49.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -76.6 76.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.279 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.87 142.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.999 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.06 130.71 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -133.95 162.22 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -114.55 127.06 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.994 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.429 ' OE1' ' HB3' ' A' ' 115' ' ' SER . 0.0 OUTLIER -65.06 99.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.91 101.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' A' ' 113' ' ' GLN . 80.3 p -125.72 -8.04 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.8 t -137.1 28.49 2.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.56 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.209 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -150.61 -17.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.911 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.89 -23.21 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.55 -22.24 26.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -96.0 145.72 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -94.65 104.57 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -85.45 134.54 34.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.664 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t 62.14 177.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.987 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t 58.22 85.03 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.65 150.81 50.67 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.749 2.299 . . . . 0.0 112.283 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -87.83 109.84 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 57.13 82.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.1 78.27 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.84 132.26 54.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.4 t -86.1 -36.94 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.47 HG21 ' NE2' ' A' ' 18' ' ' GLN . 6.3 t -93.69 163.06 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.061 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.6 m -126.85 -31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.293 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -137.41 115.15 11.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.135 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 15' ' ' THR . 8.8 pt20 -170.44 -149.78 0.07 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.786 0.803 . . . . 0.0 111.224 175.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG13 ' HD2' ' A' ' 20' ' ' PRO . 2.0 tt -120.08 143.29 35.18 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-N 113.943 -1.48 . . . . 0.0 110.79 151.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.71 ' HD2' HG13 ' A' ' 19' ' ' ILE . 18.6 Cg_exo -66.66 120.39 7.5 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 123.512 2.808 . . . . 0.0 112.19 -172.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.644 ' OG ' HG23 ' A' ' 19' ' ' ILE . 94.9 p -179.19 -7.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 2.6 pm0 -78.14 49.26 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 65.0 tt0 68.82 135.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.702 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.621 ' HG3' ' N ' ' A' ' 26' ' ' THR . 8.0 pt-20 -176.11 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -170.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m -116.55 118.87 33.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.135 -163.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' C ' HD22 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.911 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 37' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.916 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.911 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.789 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.78 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG13 HD23 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.567 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.62 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.916 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.777 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.812 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.525 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' HD23 ' A' ' 37' ' ' LEU . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.773 ' HB3' HG13 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.616 ' HA ' ' HB ' ' A' ' 19' ' ' ILE . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.615 ' O ' ' HG3' ' A' ' 102' ' ' MET . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.682 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.682 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.579 HD13 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -91.65 82.9 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -91.37 -29.78 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' ND2' ' HE2' ' A' ' 31' ' ' LYS . 2.4 m-20 -80.38 124.42 28.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.6 tp -85.9 72.23 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 108' ' ' VAL . 5.5 p -147.68 117.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.075 178.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.6 m -144.31 174.72 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 57.4 t -129.72 90.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -90.67 138.44 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -97.72 130.64 44.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.64 0.3 55.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -92.27 127.18 37.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -155.4 -173.62 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t 63.67 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.084 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.76 179.97 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.96 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m -65.9 -70.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.849 -179.084 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -87.23 142.08 28.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -89.07 46.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.5 m -63.5 129.94 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -68.62 164.73 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.2 mtp -59.76 -76.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -167.5 -68.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.014 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 10' ' ' THR . 6.4 p -115.44 127.26 26.95 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.43 -6.07 16.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.555 2.17 . . . . 0.0 112.415 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.745 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.7 m 60.9 19.72 10.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.115 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -66.91 168.73 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 -145.23 4.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 132.4 47.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.945 0.402 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.77 -34.09 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -101.83 142.95 32.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.8 p -121.15 152.39 38.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -139.75 0.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.83 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 96' ' ' HIS . 18.1 pt20 -158.27 -146.73 0.16 Allowed 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.504 0.669 . . . . 0.0 111.201 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.548 HG23 ' ND1' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -143.26 154.18 60.54 Favored Pre-proline 0 N--CA 1.438 -1.034 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.582 164.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' GLU . 38.4 Cg_exo -60.24 126.73 20.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 112.253 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.19 149.74 37.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.2 m 60.83 13.85 4.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 20' ' ' PRO . 14.0 mm-40 -110.01 -66.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 176.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.87 63.89 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 26' ' ' THR . 35.0 tt0 -82.4 -66.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.31 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB ' ' A' ' 109' ' ' VAL . 32.0 m 69.08 110.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' HD21 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 35' ' ' LEU . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.91 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 59' ' ' GLN . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.91 ' HE2' HD23 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.681 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' OH ' HD23 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.783 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.535 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.844 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.603 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.566 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.667 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.667 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.867 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.678 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.712 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG23 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.712 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.53 118.03 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -134.3 175.88 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.722 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.5 t30 63.91 157.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.19 80.14 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.44 -42.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.733 ' HB ' HG21 ' A' ' 26' ' ' THR . 31.3 m -66.13 162.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.11 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.71 99.72 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.32 107.47 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.79 ' HG2' ' H ' ' A' ' 114' ' ' GLU . 64.2 tt0 65.83 144.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -79.72 -1.73 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.79 ' H ' ' HG2' ' A' ' 112' ' ' GLN . 12.9 mm-40 -109.96 161.29 15.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t 56.63 84.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -80.41 -19.8 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -155.14 -62.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.5 p -153.26 178.24 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.004 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.7 t -84.45 104.33 14.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 57.17 33.86 23.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 t -76.15 -11.74 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -94.8 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtt -90.54 -175.87 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t 61.24 98.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.97 100.21 16.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.61 171.56 17.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.602 2.201 . . . . 0.0 112.306 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.3 p -108.31 58.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 56.64 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.84 -81.75 1.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.83 172.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.943 0.401 . . . . 0.0 111.247 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -128.64 172.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.71 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.645 ' H ' HG12 ' A' ' 14' ' ' VAL . 58.9 m -115.88 93.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.7 p -133.15 -168.83 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' HH21 ' A' ' 97' ' ' ARG . 88.2 p 50.27 86.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB2' ' HD2' ' A' ' 20' ' ' PRO . 8.4 pt20 -150.05 -137.81 0.08 Allowed 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.233 0.54 . . . . 0.0 110.929 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.881 HG23 ' HD3' ' A' ' 20' ' ' PRO . 1.6 tt -174.91 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.442 -0.834 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.346 170.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.881 ' HD3' HG23 ' A' ' 19' ' ' ILE . 51.7 Cg_exo -54.86 105.39 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.177 1.918 . . . . 0.0 112.198 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 51' ' ' LYS . . . 60.45 173.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.144 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m 71.04 -69.31 0.19 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.279 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -48.2 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.882 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -128.45 143.96 51.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.947 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 27.6 tt0 -115.73 -82.35 0.62 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -174.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.825 HG21 ' HA ' ' A' ' 109' ' ' VAL . 52.9 m 76.01 146.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 108' ' ' VAL . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 108' ' ' VAL . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.8 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 37' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.721 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.8 ' CE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.675 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.807 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 50' ' ' MET . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.636 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.877 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.877 HD12 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.839 ' HG2' HG22 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.749 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 78.8 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 61' ' ' ILE . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' HD11 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HB3' HG13 ' A' ' 88' ' ' VAL . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.72 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.852 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.9 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' A' ' 17' ' ' SER . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 102' ' ' MET . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.852 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.719 ' HE2' ' HG3' ' A' ' 20' ' ' PRO . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.62 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HE1' HD21 ' A' ' 54' ' ' LEU . 74.2 m-85 -111.66 -162.35 0.79 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 61.89 79.14 0.26 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.986 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 107' ' ' LEU . 18.0 m120 -147.55 -85.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 106' ' ' ASN . 5.1 mp -142.33 27.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.772 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.924 HG13 HG23 ' A' ' 109' ' ' VAL . 4.1 p -147.44 -176.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.924 HG23 HG13 ' A' ' 108' ' ' VAL . 54.7 t 71.94 135.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.74 105.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -143.5 -49.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -105.15 -60.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -99.09 103.32 15.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.5 167.8 10.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.7 m -145.16 10.8 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.9 p -95.63 179.82 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.26 -175.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.157 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -141.29 120.6 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.35 59.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.411 ' OD1' HG23 ' A' ' 4' ' ' THR . 26.7 t-20 63.01 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OD1' ' A' ' 3' ' ' ASN . 77.2 p -83.89 165.75 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.069 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -147.61 103.28 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.3 mtt -92.74 76.45 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -164.67 -54.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -117.59 102.26 51.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.45 -30.3 87.63 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -163.9 141.56 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -140.27 102.54 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.91 -134.13 12.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.75 130.74 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -66.22 157.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 0.0 111.431 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 61.2 m -104.12 102.21 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.034 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -89.23 149.92 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -51.17 -65.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HG2' ' ND1' ' A' ' 96' ' ' HIS . 57.2 tp60 -148.29 -45.53 0.15 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 110.181 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.909 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 3.7 pt -73.18 179.97 1.01 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.07 -158.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.909 ' HD2' ' HB ' ' A' ' 19' ' ' ILE . 50.3 Cg_endo -69.3 -139.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.954 1.769 . . . . 0.0 111.238 166.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HB2' ' A' ' 20' ' ' PRO . . . 53.6 -150.74 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.584 0.23 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -106.77 -92.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.733 0.301 . . . . 0.0 110.863 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -175.8 124.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.696 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 4.9 mm100 62.72 -75.8 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.815 -174.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 7.7 pt-20 60.86 -2.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 156.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 HG23 ' A' ' 28' ' ' VAL . 6.3 t -150.27 -175.67 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -170.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' H ' ' HB ' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 13.5 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.627 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 35' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.651 ' H ' HG22 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.633 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.671 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.605 ' O ' HG22 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.631 HG23 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 96.3 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.781 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' OD2' HD22 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.95 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 80' ' ' ASP . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.95 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HE1' HD12 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.747 ' HB3' HG21 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.855 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.633 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.554 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.461 ' HE1' HG11 ' A' ' 28' ' ' VAL . 88.7 m-85 -108.87 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -135.91 25.98 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.802 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 58.77 -172.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.5 tp 64.92 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.153 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 98.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.314 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.5 -169.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.995 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.771 ' HB ' ' H ' ' A' ' 27' ' ' LEU . 10.1 p -59.6 145.34 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.048 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -152.04 -55.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -107.5 90.51 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.701 ' HG3' ' H ' ' A' ' 116' ' ' SER . 7.5 tp60 -101.73 -54.42 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 56.15 65.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t 54.82 41.71 31.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.701 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 37.4 t 61.47 174.02 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -112.68 42.42 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -131.21 121.42 24.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.913 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -81.13 -64.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -152.41 79.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 m 61.57 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -94.26 145.74 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.988 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -92.72 144.8 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -115.58 -23.97 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -127.74 90.96 46.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.186 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.24 157.49 25.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.191 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 m -88.46 95.5 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.19 177.16 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.63 76.48 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.53 131.68 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.92 -67.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.021 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 m -151.97 129.09 11.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -167.77 172.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -59.6 165.74 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' OE1' ' HD2' ' A' ' 97' ' ' ARG . 51.2 tt0 -149.2 -45.74 0.14 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 110.309 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -65.3 109.09 2.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.619 -157.27 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 23' ' ' GLU . 84.3 Cg_endo -90.45 140.99 3.25 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.896 2.397 . . . . 0.0 112.489 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.22 155.52 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m 65.52 4.15 2.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.256 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -86.9 -74.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.131 171.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.77 148.2 22.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.217 163.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 3.0 tt0 -177.39 100.04 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.545 0.688 . . . . 0.0 110.828 178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.626 HG21 ' H ' ' A' ' 110' ' ' VAL . 19.1 m -72.58 154.96 40.52 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.45 170.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.845 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.845 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 85' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD23 ' CD2' ' A' ' 38' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.769 ' CE1' HD12 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.97 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.856 HG13 HD11 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 75' ' ' VAL . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.772 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.711 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 92' ' ' SER . 92.6 m-70 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.658 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.658 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.618 ' HB2' HD12 ' A' ' 19' ' ' ILE . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.468 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.656 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.656 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.487 ' HA ' HG11 ' A' ' 110' ' ' VAL . 95.9 m-85 -110.99 162.39 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.489 ' H ' HG13 ' A' ' 110' ' ' VAL . 24.2 mmm180 -141.12 -59.65 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.901 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.644 ' HB3' ' HA ' ' A' ' 110' ' ' VAL . 14.1 t-20 -77.11 178.29 7.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 107' ' ' LEU . 6.6 mp -100.28 -69.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.785 0.326 . . . . 0.0 111.219 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 109' ' ' VAL . 34.2 m -76.66 -29.22 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.456 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.796 HG22 HG23 ' A' ' 108' ' ' VAL . 5.2 m -148.74 72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.644 ' HA ' ' HB3' ' A' ' 106' ' ' ASN . 96.0 t -43.58 104.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.197 172.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -122.22 141.04 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.67 -25.5 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 24.3 tp60 -161.33 101.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 141.44 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.2 m -99.4 129.58 45.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.2 m -81.88 170.41 15.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.88 176.19 0.1 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -166.34 -21.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.863 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.17 176.41 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -139.73 106.06 5.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -135.5 -0.78 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -80.84 126.96 31.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt 57.42 89.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.961 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.4 p -122.59 12.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -98.24 108.22 45.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.21 144.79 58.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.507 2.138 . . . . 0.0 112.28 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.1 m -142.86 -60.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.34 118.11 36.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.09 -178.65 16.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.489 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.64 -176.29 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.29 -70.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.9 m -110.99 106.06 15.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -137.36 93.15 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 46.9 t 63.44 165.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.866 ' HG3' HG23 ' A' ' 19' ' ' ILE . 3.0 pt20 -148.3 -46.02 0.15 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.866 HG23 ' HG3' ' A' ' 18' ' ' GLN . 15.7 pt -80.9 105.81 4.49 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.355 -157.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 86.5 Cg_endo -83.91 29.81 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.621 2.214 . . . . 0.0 112.753 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 55.14 -163.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.068 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 49.0 m 75.47 -41.41 0.45 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.329 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.8 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.53 114.58 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 171.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.68 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 35.5 tt0 -112.45 -81.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.108 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 28' ' ' VAL . 44.3 m 73.41 140.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 35' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.788 ' H ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.854 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.491 HG22 ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.68 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG11 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 1.011 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.544 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.854 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' HA ' HG22 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 HG11 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.867 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.867 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.773 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.607 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.627 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.623 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 19' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.572 ' O ' HG13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.62 HG23 HD13 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.437 ' OH ' HG11 ' A' ' 53' ' ' VAL . 80.2 m-85 -102.39 139.4 38.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -140.78 145.94 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.544 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -58.12 98.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.3 tp -148.09 -66.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.37 -73.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.211 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.8 m 41.71 -161.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.84 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.89 139.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.491 ' H ' HH21 ' A' ' 29' ' ' ARG . 27.2 t-20 -92.32 140.71 29.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.994 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -152.55 19.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.76 -30.81 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.53 128.35 35.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.1 t -159.63 76.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 t 61.02 174.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.075 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -154.61 103.59 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -151.18 -26.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.816 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.9 t -161.05 -65.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -105.97 8.0 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 p -87.08 -22.36 25.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -97.97 98.68 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.3 ttp -88.32 114.39 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 m -103.33 117.01 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.6 p -95.52 126.43 45.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 23.2 Cg_exo -65.24 -45.51 7.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.79 2.327 . . . . 0.0 112.425 -176.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.6 t -104.07 143.76 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.284 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.43 25.4 4.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.54 -120.75 0.91 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.28 -176.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.68 -67.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.2 m -149.64 92.93 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.4 m -154.4 -77.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.97 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -170.29 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.576 ' HG3' ' HB ' ' A' ' 19' ' ' ILE . 9.8 pt20 -174.35 -46.89 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.128 0.49 . . . . 0.0 110.274 175.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 19' ' ' ILE . 8.6 tp -125.31 45.47 1.39 Allowed Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.035 -148.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 18' ' ' GLN . 10.8 Cg_endo -52.56 92.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.763 2.308 . . . . 0.0 112.492 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.51 60.82 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.564 0.697 . . . . 0.0 110.533 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.89 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 68.0 m -159.26 11.89 0.14 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.229 172.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 9.6 tp10 52.48 75.23 0.24 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 1.9 mp0 60.49 120.19 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -170.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.89 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 6.4 pt-20 -137.59 -49.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.058 -161.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.88 ' H ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m -137.01 117.33 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.862 -150.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.699 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.944 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.88 ' HG2' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.7 HG23 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.848 HD11 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.597 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.635 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.001 HD12 HD23 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.644 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.728 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HD11 ' A' ' 19' ' ' ILE . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.676 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.676 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.462 ' HE1' HG21 ' A' ' 28' ' ' VAL . 94.2 m-85 -91.22 100.26 13.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -95.01 -79.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -174.57 125.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.6 tp -170.23 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.89 136.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 111' ' ' ASN . 28.4 m -142.32 -165.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.888 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -31.85 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.604 ' H ' HG23 ' A' ' 109' ' ' VAL . 27.5 t-20 -106.64 -80.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.269 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HG2' HG22 ' A' ' 109' ' ' VAL . 15.8 mm100 60.25 -84.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -147.67 140.18 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 115' ' ' SER . 9.1 tp10 -100.34 168.09 9.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.62 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 47.1 t -50.93 148.08 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.999 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.0 p -62.94 157.91 20.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.23 84.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -162.7 177.81 9.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.957 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.4 m -94.08 -4.02 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.81 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.044 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p 48.48 57.22 6.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.326 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.69 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.71 -69.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -147.76 16.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -97.36 106.58 33.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 96.72 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 112.306 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.7 p -103.01 170.26 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 57.05 28.83 15.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.36 -99.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.8 132.04 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 111.164 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.88 -62.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.1 m -112.06 109.79 19.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.7 p -81.6 132.23 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -153.73 11.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 97' ' ' ARG . 10.2 pt20 -163.85 -153.76 0.24 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.646 0.736 . . . . 0.0 110.975 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 100' ' ' TYR . 5.7 tp -102.12 137.12 19.38 Favored Pre-proline 0 N--CA 1.442 -0.825 0 CA-C-N 113.767 -1.56 . . . . 0.0 110.26 142.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 7.2 Cg_exo -74.41 22.04 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.275 2.65 . . . . 0.0 112.15 -172.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . -147.38 107.11 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.699 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p -135.82 99.24 4.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 -173.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HG2' ' HA ' ' A' ' 51' ' ' LYS . 31.3 mt-10 55.45 10.4 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -175.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.509 ' HA ' ' SD ' ' A' ' 50' ' ' MET . 21.6 mm-40 -148.54 103.43 3.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.678 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.9 pt-20 -176.71 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -171.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.801 ' H ' ' HG2' ' A' ' 50' ' ' MET . 29.1 m -153.79 122.38 6.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -147.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.813 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' A' ' 47' ' ' THR . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HA ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 ' HB3' HD21 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.801 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.871 HD11 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.407 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.813 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.812 ' HG3' HG22 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.651 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD22 HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' HG22 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.826 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 78.2 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG23 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.826 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.668 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.578 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.666 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.668 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CD1' HD11 ' A' ' 99' ' ' ILE . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.764 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.671 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.671 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HG11 ' A' ' 109' ' ' VAL . 98.9 m-85 -105.72 128.15 53.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 39.1 ttm180 -96.05 154.39 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.862 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -97.4 80.28 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 107' ' ' LEU . 6.8 tt -158.36 -72.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.9 p -98.99 -25.11 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 HG21 ' A' ' 26' ' ' THR . 36.3 t -77.53 151.05 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.898 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.423 HG23 HG12 ' A' ' 109' ' ' VAL . 16.4 t 55.49 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.63 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -120.69 132.86 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -154.93 -5.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.53 ' HG3' ' H ' ' A' ' 115' ' ' SER . 8.5 tp-100 -89.12 134.48 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -108.47 32.9 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.53 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 88.0 p -89.3 11.75 18.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 m -145.92 6.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.94 23.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -72.0 141.1 49.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.91 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.7 m -90.29 129.5 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 57.12 24.89 10.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p 48.16 34.04 4.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.433 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 60.4 100.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.072 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.6 mmm 65.53 125.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -88.92 -30.67 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.44 73.64 55.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.368 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.79 -55.06 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.791 2.328 . . . . 0.0 112.129 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -149.87 150.57 32.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -142.06 141.41 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.92 -18.42 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.374 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.02 131.91 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -107.69 -59.34 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 m -147.73 108.48 4.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.6 p -107.49 5.39 27.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 97' ' ' ARG . 79.6 p -153.01 143.76 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -147.34 -41.99 0.18 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.119 0.485 . . . . 0.0 110.342 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.5 pp -82.86 117.17 67.71 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.0 -153.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.645 ' HG2' ' H ' ' A' ' 23' ' ' GLU . 94.9 Cg_endo -85.17 32.19 0.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.838 2.359 . . . . 0.0 111.9 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.57 38.33 15.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.035 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.505 ' HA ' ' OE1' ' A' ' 25' ' ' GLU . 40.4 t 63.38 64.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.887 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.645 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 45.8 mt-10 -130.19 -19.54 3.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 177.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -166.96 104.68 0.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' ' SD ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -174.63 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.997 -170.575 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.853 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t -116.02 -105.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -145.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HD3' HG22 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.596 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.902 HD21 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.898 HD23 HD12 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 27' ' ' LEU . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.853 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.7 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.719 HG23 HG21 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.694 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 63' ' ' THR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.682 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.484 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 46.6 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.719 HG21 HG23 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.931 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.902 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.472 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.476 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.67 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.888 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.64 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.888 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.539 ' HD2' HG21 ' A' ' 19' ' ' ILE . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.72 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 -109.73 114.3 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -93.23 -168.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -85.3 9.67 14.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 107' ' ' LEU . 3.5 mm? -111.28 126.9 55.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t 55.96 75.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.14 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 111' ' ' ASN . 21.8 m -144.8 -164.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -61.34 -18.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.703 ' H ' HG23 ' A' ' 109' ' ' VAL . 26.6 p-10 -54.07 158.31 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -176.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -148.29 136.65 21.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -162.75 10.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -99.5 107.82 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -100.83 30.51 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -136.24 -24.36 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -98.83 153.95 18.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p 48.39 80.95 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.993 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.6 m -139.39 129.03 24.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -93.49 13.0 23.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.6 m -106.29 139.22 41.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 58.27 89.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.6 mtp -76.0 -56.72 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -129.08 -37.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.19 134.44 21.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.07 73.64 5.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.559 2.173 . . . . 0.0 112.341 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 m -154.17 -65.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.98 143.92 40.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -25.67 6.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.54 132.22 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -135.94 -45.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.8 t -86.68 -15.95 38.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 m -83.18 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -109.1 177.12 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -145.53 -42.97 0.22 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 100' ' ' TYR . 0.7 OUTLIER -74.52 159.37 83.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.7 -157.591 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HG2' ' HB ' ' A' ' 101' ' ' THR . 31.3 Cg_exo -59.12 80.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.546 2.164 . . . . 0.0 112.397 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.65 -170.68 0.21 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 t -120.0 43.72 2.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 53.35 88.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 28.8 tt0 63.67 152.67 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.818 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 10.6 pt-20 -173.66 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.321 -172.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.658 HG21 ' HB ' ' A' ' 28' ' ' VAL . 5.4 m -136.61 175.82 9.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.247 -163.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HG2' HD11 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 107' ' ' LEU . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.645 ' CE2' HD23 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.603 ' H ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.914 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.736 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.68 ' HB3' HG11 ' A' ' 41' ' ' VAL . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HG22 ' A' ' 63' ' ' THR . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.779 HG23 HG11 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.842 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.533 ' HB3' ' CE1' ' A' ' 73' ' ' HIS . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.678 ' O ' ' HA ' ' A' ' 92' ' ' SER . 37.6 p-80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.842 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.523 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.815 ' HB3' HG23 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.701 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.663 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.997 ' HA ' HD12 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.722 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.751 ' HG2' ' HE2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 1.076 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.533 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.748 ' HB ' ' HG2' ' A' ' 20' ' ' PRO . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 1.076 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.471 ' HD1' HG23 ' A' ' 108' ' ' VAL . 97.1 m-85 -93.04 98.1 11.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -154.41 -63.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.48 117.59 23.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 1.4 tm? 55.7 89.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 109' ' ' VAL . 14.0 p -138.49 152.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.403 -172.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER 61.73 157.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.314 168.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.8 p -120.97 -24.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.213 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -94.43 142.5 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -146.12 124.18 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.24 -32.78 14.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.8 t -93.16 115.27 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.4 p -151.0 14.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -95.52 -64.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 m 56.73 85.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.942 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.76 -22.47 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.11 137.17 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.3 m -148.29 104.64 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -96.68 97.18 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.2 ttp -152.27 131.92 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.2 t -151.59 -18.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.86 87.25 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.12 -165.8 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.532 2.155 . . . . 0.0 112.311 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -63.76 -38.37 90.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.12 104.74 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.32 -32.01 3.59 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.25 -174.61 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.383 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.58 -70.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -151.81 110.13 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 t -164.93 140.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 t -97.28 -70.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 53.8 tt0 -160.81 -41.8 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.345 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.805 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -79.9 -24.58 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -156.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 19' ' ' ILE . 88.9 Cg_exo -42.14 145.02 0.92 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.509 2.139 . . . . 0.0 112.51 172.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB2' ' HD3' ' A' ' 51' ' ' LYS . . . -62.9 155.69 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.229 -177.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t 64.76 10.62 6.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.77 -79.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.575 173.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -135.13 90.1 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 26' ' ' THR . 34.4 tt0 -98.31 -102.63 0.2 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -170.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.691 HG21 HG12 ' A' ' 28' ' ' VAL . 14.4 t 157.75 179.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.203 -165.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' H ' HG12 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.691 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.825 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.602 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.809 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.684 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.673 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.825 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.831 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.703 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.755 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.613 ' HA ' HG22 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.635 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.497 ' HD1' HG23 ' A' ' 99' ' ' ILE . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.554 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.667 ' HG3' ' HZ ' ' A' ' 86' ' ' PHE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 -96.28 113.55 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.511 ' O ' ' HD3' ' A' ' 105' ' ' ARG . 3.8 tmt_? -77.7 -11.44 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 64.4 57.55 1.16 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.72 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' NH1' ' A' ' 105' ' ' ARG . 57.4 tp -125.67 -54.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.799 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.5 t -107.17 80.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.19 173.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.936 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 27' ' ' LEU . 10.1 p -100.09 142.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.998 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -117.2 -33.83 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HG2' HG22 ' A' ' 110' ' ' VAL . 13.8 mm100 57.29 20.5 5.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.012 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -150.26 148.15 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.977 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.41 104.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -61.21 107.45 0.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.9 m -132.76 17.0 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -124.9 178.09 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p 50.63 -166.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.9 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.0 p 40.78 42.95 1.57 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.38 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -139.22 -34.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -92.84 -44.61 8.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -80.62 -35.04 34.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.0 mmt -93.35 72.36 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -96.71 40.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 8' ' ' VAL . 12.7 m -81.87 114.8 53.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.89 -26.48 9.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.622 2.215 . . . . 0.0 112.285 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.8 p 51.45 -170.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.533 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 56.45 28.04 13.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.016 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.79 157.2 16.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.91 132.07 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.355 . . . . 0.0 111.133 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.92 -54.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -129.28 114.29 16.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.902 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p 50.79 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.405 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -165.94 144.86 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.013 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 10.1 pt20 -160.55 -156.39 0.47 Allowed 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 177.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.449 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.39 145.0 22.23 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.919 163.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.7 Cg_endo -91.91 82.84 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.232 2.621 . . . . 0.0 111.573 165.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 25' ' ' GLU . . . 63.84 -170.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 -166.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.539 ' H ' ' HG3' ' A' ' 50' ' ' MET . 95.1 p -74.19 72.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.108 -174.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 8.4 tp10 54.51 10.89 0.37 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.713 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 1.8 mm-40 -179.61 -85.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.563 -174.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.816 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 39.7 tt0 -171.87 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.423 168.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER 77.22 149.33 0.1 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.207 -166.361 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG12 ' HD3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.735 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.778 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HG3' HG21 ' A' ' 41' ' ' VAL . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.706 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.817 HG23 HG21 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.561 HG22 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.709 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.51 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 76.0 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.817 HG21 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.555 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HD12 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 HD23 ' A' ' 82' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HZ ' HD11 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.676 ' HD2' HG12 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.437 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 18' ' ' GLN . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.64 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.94 113.37 26.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -137.27 -26.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -81.01 160.27 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 107' ' ' LEU . 3.2 mm? -94.41 50.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 30' ' ' PRO . 21.4 t -127.7 77.67 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.812 HG23 HG12 ' A' ' 110' ' ' VAL . 27.6 m -142.18 -165.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.99 -178.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.812 HG12 HG23 ' A' ' 109' ' ' VAL . 2.1 p 37.43 -89.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.33 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.809 ' H ' HG13 ' A' ' 110' ' ' VAL . 26.0 t-20 52.4 78.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.416 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 11.8 pt20 -166.48 168.93 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -104.59 68.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -163.93 95.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t -155.87 -43.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.3 m -135.93 172.88 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -136.46 142.01 43.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -120.27 17.23 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.9 m -124.75 38.92 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t30 56.9 82.04 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -136.21 165.28 26.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.067 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 57.43 85.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -135.89 -16.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -157.23 26.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.53 100.44 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.49 135.88 71.3 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.636 2.224 . . . . 0.0 112.296 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -86.46 -20.03 28.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -157.53 124.65 5.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.61 -38.61 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.554 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.88 -174.04 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.698 0.285 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 15' ' ' THR . 3.7 p -74.29 -157.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.648 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.848 ' H ' HG22 ' A' ' 14' ' ' VAL . 5.2 m -151.19 23.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.728 -174.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.633 ' H ' HG13 ' A' ' 14' ' ' VAL . 58.8 m 63.67 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.312 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -82.83 155.72 24.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 18.2 pt20 -158.48 -149.88 0.23 Allowed 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.449 0.642 . . . . 0.0 111.107 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -146.34 161.84 37.12 Favored Pre-proline 0 N--CA 1.44 -0.944 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.337 165.3 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' N ' HG13 ' A' ' 19' ' ' ILE . 26.5 Cg_exo -62.18 81.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.85 2.366 . . . . 0.0 112.032 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.46 -172.13 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.995 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -107.95 30.87 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 -177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 40.6 tt0 55.37 95.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 64.9 tt0 65.19 144.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.768 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.5 pt-20 -173.94 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.439 . . . . 0.0 111.382 -166.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.668 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 59.2 m -113.71 122.11 46.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -166.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.789 HG21 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HD2' ' A' ' 32' ' ' PRO . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' H ' ' H ' ' A' ' 45' ' ' LYS . 53.1 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 44' ' ' GLN . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.865 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 26' ' ' THR . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.937 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.548 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 70.3 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.548 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.937 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.883 HG21 HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.757 ' H ' HD13 ' A' ' 37' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.592 ' H ' HD11 ' A' ' 82' ' ' LEU . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.503 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' H ' HG23 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.758 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.789 ' HE2' HG21 ' A' ' 28' ' ' VAL . 93.4 m-85 -104.86 124.28 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -133.47 165.29 25.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.578 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 58.53 -172.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.1 mt -105.1 89.09 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.83 93.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 26' ' ' THR . 28.2 m -139.27 -166.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -52.47 -51.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.23 121.29 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -93.73 -53.62 3.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -99.8 143.88 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.68 -61.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t 56.31 73.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t 60.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.23 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.32 88.76 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.5 m -73.09 174.04 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.887 -179.949 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.92 128.28 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -162.17 137.8 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 m -91.68 97.59 11.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -85.28 91.25 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.2 mtt -135.06 -63.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -157.41 14.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 179.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -133.24 74.06 73.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.256 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.04 137.79 38.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.528 2.152 . . . . 0.0 112.251 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -89.51 123.43 33.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -156.23 143.56 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.83 16.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 132.05 13.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.01 -59.55 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -99.75 173.15 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.021 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -56.58 -61.0 2.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.159 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -164.06 -47.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 178.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG2' ' HD3' ' A' ' 97' ' ' ARG . 58.5 tp60 -145.95 -46.06 0.2 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.12 0.486 . . . . 0.0 110.103 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 96' ' ' HIS . 21.6 pt -77.92 112.73 27.11 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.577 -156.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.608 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 85.8 Cg_endo -83.38 118.88 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.77 2.314 . . . . 0.0 112.268 -179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 152.33 40.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t 60.54 20.61 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.12 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' PRO . 14.6 mm-40 -112.36 -72.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 176.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -115.53 87.27 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.491 173.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 26' ' ' THR . 29.7 tt0 -108.95 -105.42 0.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 -173.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.718 HG21 HG12 ' A' ' 28' ' ' VAL . 12.1 t 159.85 178.85 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -164.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' H ' ' HA ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.718 HG12 HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.815 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.813 HD12 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' LYS . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 35' ' ' LEU . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.569 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.732 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CD2' HD22 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.694 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.612 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 43.3 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 75' ' ' VAL . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.79 HG21 HG22 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.736 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 77' ' ' CYS . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.72 ' HB3' HG23 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.736 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.604 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HD3' ' HG2' ' A' ' 18' ' ' GLN . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.642 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.612 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.432 ' HE1' HG21 ' A' ' 28' ' ' VAL . 64.7 m-85 -91.09 134.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -168.77 16.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 177.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -121.47 89.69 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -178.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.98 -168.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 177.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.13 160.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.407 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 27.7 m -140.96 -26.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.411 ' HA ' ' H ' ' A' ' 27' ' ' LEU . 8.5 p -85.34 -32.12 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -177.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -153.57 119.94 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.938 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -74.92 117.07 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -146.49 140.95 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -108.54 137.74 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.2 p -103.69 -35.77 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.1 p -162.68 -61.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -160.93 21.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.2 p -86.5 -22.46 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m -134.88 -1.06 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 56.52 33.75 23.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.783 179.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -95.13 145.46 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -150.53 -39.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.1 tpp -100.18 99.05 9.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -127.54 -18.64 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.14 93.6 22.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.66 -30.83 17.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -125.84 112.76 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.94 -179.38 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.76 112.24 4.81 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.401 179.237 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.87 132.47 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.079 -179.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG12 ' H ' ' A' ' 15' ' ' THR . 2.4 t -107.2 175.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.621 178.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.674 ' H ' HG12 ' A' ' 14' ' ' VAL . 83.7 m -54.36 101.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.04 178.733 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -104.16 126.0 50.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -177.136 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -95.36 -174.34 3.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -140.31 -43.83 0.41 Allowed 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.101 0.476 . . . . 0.0 110.23 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 96' ' ' HIS . 23.6 pt -73.78 106.25 2.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.652 -155.214 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 52.8 Cg_endo -92.8 130.62 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.156 2.571 . . . . 0.0 112.414 -178.309 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 147.68 52.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.028 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 t 60.95 17.08 7.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 178.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 20' ' ' PRO . 10.2 tp10 -102.61 -76.14 0.59 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 175.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 50' ' ' MET . 94.8 mt-30 -89.21 66.27 7.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.555 171.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.9 tt0 -81.58 -83.2 0.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 -171.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 110' ' ' VAL . 88.3 m 77.22 125.96 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.294 -177.738 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' C ' HD13 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HG2' HD22 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.81 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.692 ' H ' HG22 ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.81 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.784 ' CE2' HD12 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.629 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.764 ' HB3' HG21 ' A' ' 41' ' ' VAL . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.61 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.75 HG23 HG21 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.769 HG23 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.769 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 28.5 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.75 HG21 HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.75 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.707 HD11 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.745 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.75 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.838 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.689 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' A' ' 102' ' ' MET . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.692 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.705 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -102.51 97.13 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -141.06 130.44 23.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 178.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 57.5 -150.72 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.742 -178.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.1 mt 67.05 175.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 176.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.83 98.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.324 -175.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.717 HG23 ' H ' ' A' ' 111' ' ' ASN . 27.0 m -87.21 -159.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 174.726 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 26' ' ' THR . 14.3 p -63.99 -26.9 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.717 ' H ' HG23 ' A' ' 109' ' ' VAL . 46.5 t30 63.91 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.061 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 62.96 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -58.35 147.32 31.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.8 83.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -178.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -153.86 41.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.7 t 57.44 56.95 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.82 87.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.036 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.7 t 60.72 177.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.053 178.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.97 -179.81 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.15 93.51 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -115.56 105.57 12.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -88.74 136.18 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -97.31 35.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.5 mtp 57.41 80.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.055 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 t 57.19 89.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.69 110.94 2.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.17 -52.26 1.23 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 0.0 112.174 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 t -166.14 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -96.72 135.43 38.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.51 -89.46 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.26 -175.82 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' H ' ' A' ' 15' ' ' THR . 8.1 p -91.84 -139.85 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.788 ' H ' HG22 ' A' ' 14' ' ' VAL . 5.6 t 36.0 62.77 0.64 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.866 -176.802 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLN . 76.8 p -98.25 63.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 177.429 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p 48.88 -89.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.51 -178.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' THR . 48.8 tt0 -157.57 -63.29 0.09 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.453 0.644 . . . . 0.0 109.854 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.26 135.13 22.5 Favored Pre-proline 0 N--CA 1.44 -0.956 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.134 -149.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 54.5 Cg_endo -96.12 56.89 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.738 2.959 . . . . 0.0 112.662 -170.043 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 19' ' ' ILE . . . -165.56 20.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' A' ' 100' ' ' TYR . 34.3 t -149.94 -27.45 0.25 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.752 178.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' OE1' ' A' ' 24' ' ' GLN . 12.5 mm-40 -59.79 -69.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 177.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' OE1' ' HB3' ' A' ' 23' ' ' GLU . 23.8 mp0 -140.39 134.16 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' CD ' ' HG3' ' A' ' 50' ' ' MET . 5.6 pt-20 -179.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.384 -177.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 109' ' ' VAL . 22.2 m -144.03 169.55 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.323 -162.34 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.633 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.66 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.716 ' HB2' HD12 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.714 ' CE2' HD12 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.658 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.757 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.578 HD21 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.933 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 16.7 mp0 -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.933 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.9 t30 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD21 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD12 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.567 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.633 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.663 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HZ ' HD12 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' N ' HG13 ' A' ' 19' ' ' ILE . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.777 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.501 ' CD1' HD12 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.777 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.505 ' HE2' HG11 ' A' ' 28' ' ' VAL . 89.2 m-85 -99.05 121.91 41.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -140.43 -26.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -90.07 168.18 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.88 81.84 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -178.193 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.45 26.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.048 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 26' ' ' THR . 8.5 p -131.58 152.64 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.878 -178.135 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 26' ' ' THR . 8.8 p -54.87 138.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.277 -178.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -92.58 154.3 18.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -178.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.59 132.91 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 60.48 -179.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -91.22 34.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.001 -177.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -92.3 107.57 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -87.28 -70.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 54.95 47.55 21.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -88.04 -17.11 31.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.909 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.9 t -76.26 -51.01 12.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.59 120.58 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p 51.03 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -116.23 -25.38 7.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.4 mtm 62.36 -83.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 178.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.9 m 56.45 41.48 28.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 t -87.7 124.53 67.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.94 99.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.575 2.184 . . . . 0.0 112.395 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -131.71 126.05 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.56 151.45 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.53 78.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.03 139.38 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.098 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -114.33 -39.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 m -147.18 -63.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m 57.31 95.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.244 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 91.7 p 51.61 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -151.55 -42.33 0.11 Allowed 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.104 0.478 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 19' ' ' ILE . 44.0 pt -75.54 122.71 87.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.447 -156.22 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.89 4.67 6.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.608 2.206 . . . . 0.0 112.622 -176.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.16 179.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.495 -178.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m 53.78 22.05 3.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.281 174.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -128.3 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.13 46.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.618 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.6 tt0 -59.76 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 -177.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.7 m 77.31 113.89 0.07 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.319 179.022 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.905 HG12 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.905 ' HD3' HG12 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.858 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.877 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.877 ' HE2' HD23 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 HD22 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 50' ' ' MET . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.622 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.622 ' CE1' ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' A' ' 90' ' ' SER . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.421 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.652 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HE2' HD13 ' A' ' 99' ' ' ILE . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.643 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.742 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.766 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.551 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' SER . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.807 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 103' ' ' ILE . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.546 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.807 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 99' ' ' ILE . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 101' ' ' THR . 12.8 p90 -124.83 146.19 49.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -127.88 -62.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.795 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -169.45 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.17 9.35 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.27 35.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -119.75 -174.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.298 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.97 154.2 8.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.03 146.07 39.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -147.65 127.79 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -92.76 132.67 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.25 120.66 6.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.3 83.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.079 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.9 t -113.82 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -147.97 -21.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.6 m -75.96 163.21 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.045 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 120.721 0.296 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.842 ' HD3' HG12 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.695 ' HD1' HD23 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.795 HG23 HG21 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 74' ' ' ILE . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.795 HG21 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.673 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' OD1' HD22 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.443 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.867 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.673 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.867 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.678 ' HA ' HG22 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.685 ' O ' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.636 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 28' ' ' VAL . 2.1 m . . . . . 0 CA--C 1.517 -0.312 0 CA-C-O 121.003 0.43 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.827 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' HG12 ' A' ' 28' ' ' VAL . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.875 HD21 HD22 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.771 ' CE1' HD23 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.827 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 HD11 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.685 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 7.6 mm100 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.699 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.573 ' N ' HG22 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' C ' HD22 ' A' ' 66' ' ' LEU . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.689 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.682 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 36' ' ' LYS . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.875 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.758 ' HG ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.5 ' H ' ' HB2' ' A' ' 86' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.682 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.596 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 73' ' ' HIS . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.686 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.742 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.742 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 49' ' ' THR . 54.5 m . . . . . 0 CA--C 1.512 -0.517 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.886 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HE ' HD12 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.777 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.693 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.423 ' HA ' ' OH ' ' A' ' 104' ' ' TYR . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 38' ' ' LEU . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.672 ' HB3' HG11 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.742 HG22 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.544 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.426 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 38.2 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 75.8 m80 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.701 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.679 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 36' ' ' LYS . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.446 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.764 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.446 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.679 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.729 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.729 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.502 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 99' ' ' ILE . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.764 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.463 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HB ' ' HG3' ' A' ' 50' ' ' MET . 2.0 m . . . . . 0 C--O 1.232 0.172 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.603 HG12 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.603 ' HD3' HG12 ' A' ' 28' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.812 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.81 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 29' ' ' ARG . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.812 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HD1' HD23 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HG11 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.577 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.759 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' HG23 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.759 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.715 HG11 HG23 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.563 ' HA ' HD12 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.874 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.521 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 HD13 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG13 ' A' ' 88' ' ' VAL . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.594 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.601 ' HD2' ' H ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.601 ' H ' ' HD2' ' A' ' 96' ' ' HIS . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.624 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.682 HD11 ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.435 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 81.4 m-85 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.734 HG21 HG12 ' A' ' 28' ' ' VAL . 12.2 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 34' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.549 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CE1' HD23 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.659 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.695 ' H ' HG22 ' A' ' 26' ' ' THR . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.686 HD21 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.748 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.9 mm100 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.714 HG23 HG11 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.673 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.714 HG11 HG23 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.636 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.608 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.613 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.546 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.664 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.857 ' HB3' HG21 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.638 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.638 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.756 HG21 HG12 ' A' ' 28' ' ' VAL . 4.4 t . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.756 HG12 HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.752 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.896 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' H ' ' H ' ' A' ' 45' ' ' LYS . 8.9 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' NZ ' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.646 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.629 ' HE1' ' HB3' ' A' ' 100' ' ' TYR . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.832 HG23 HD11 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG23 ' A' ' 41' ' ' VAL . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.764 ' H ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.851 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 24.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 14.8 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.9 p80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.851 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.777 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.73 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.588 ' SG ' HD12 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.592 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' A' ' 99' ' ' ILE . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.592 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.733 HG22 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.777 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.69 ' HE1' HG13 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.756 ' O ' HD11 ' A' ' 99' ' ' ILE . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.69 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.629 ' HB3' ' HE1' ' A' ' 50' ' ' MET . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.68 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 28' ' ' VAL . 52.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.622 HG21 HG23 ' A' ' 28' ' ' VAL . 8.6 t . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.588 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.622 HG23 HG21 ' A' ' 26' ' ' THR . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.811 HD23 ' CE2' ' A' ' 48' ' ' TYR . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.677 ' H ' HG22 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.672 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.609 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.782 HG23 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.88 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.551 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.551 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 25.0 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.6 p80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.88 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.76 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HB2' HD12 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 73' ' ' HIS . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.749 ' HA ' HG22 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.672 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.37 0.128 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.727 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 ' C ' HD22 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.911 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 37' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.916 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.911 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.789 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.78 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG13 HD23 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.567 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.62 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.916 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.777 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.812 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.525 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.665 HD22 ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' HD23 ' A' ' 37' ' ' LEU . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.773 ' HB3' HG13 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.603 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.615 ' O ' ' HG3' ' A' ' 102' ' ' MET . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.682 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.682 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.579 HD13 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.0 m . . . . . 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' HD21 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 35' ' ' LEU . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.91 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 59' ' ' GLN . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.91 ' HE2' HD23 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.681 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.498 ' OH ' HD23 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.783 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.535 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.844 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.603 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.566 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.667 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.667 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.867 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.678 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.712 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG23 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.712 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 28' ' ' VAL . 52.9 m . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.8 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 37' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.721 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.8 ' CE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.557 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 50' ' ' MET . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.636 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.877 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.877 HD12 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.839 ' HG2' HG22 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.749 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 18.5 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 61' ' ' ILE . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' HD11 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HB3' HG13 ' A' ' 88' ' ' VAL . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.72 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.852 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 102' ' ' MET . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.852 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.485 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.62 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HE1' HD21 ' A' ' 54' ' ' LEU . 74.2 m-85 . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 HG23 ' A' ' 28' ' ' VAL . 6.3 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.764 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.47 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 4.1 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.627 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 35' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.651 ' H ' HG22 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.633 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.671 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.605 ' O ' HG22 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.631 HG23 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 24.8 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.781 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.553 ' OD2' HD22 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.95 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 80' ' ' ASP . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.95 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HE1' HD12 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.747 ' HB3' HG21 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.633 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.554 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.461 ' HE1' HG11 ' A' ' 28' ' ' VAL . 88.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.583 HG21 ' HB ' ' A' ' 28' ' ' VAL . 19.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.845 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.845 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 85' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD23 ' CD2' ' A' ' 38' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.769 ' CE1' HD12 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.856 HG13 HD11 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 75' ' ' VAL . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.772 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.711 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 92' ' ' SER . 70.3 m80 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.448 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.658 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.658 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.656 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.656 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.427 ' OH ' ' HB ' ' A' ' 53' ' ' VAL . 95.9 m-85 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 28' ' ' VAL . 44.3 m . . . . . 0 CA--C 1.522 -0.113 0 CA-C-O 120.76 0.314 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 35' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.788 ' H ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.854 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.491 HG22 ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.612 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG11 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 1.011 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.544 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.854 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' HA ' HG22 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 HG11 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.867 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.492 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.867 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.773 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.607 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.627 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.623 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.544 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.572 ' O ' HG13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.62 HG23 HD13 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.437 ' OH ' HG11 ' A' ' 53' ' ' VAL . 80.2 m-85 . . . . . 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.699 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.944 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.864 ' HG3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.7 HG23 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.848 HD11 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.597 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.425 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.635 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.001 HD12 HD23 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.653 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.644 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.728 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.676 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.676 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.462 ' HE1' HG21 ' A' ' 28' ' ' VAL . 94.2 m-85 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 29.1 m . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.813 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' A' ' 47' ' ' THR . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HA ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 ' HB3' HD21 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.801 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.871 HD11 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.407 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.813 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.812 ' HG3' HG22 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' O ' ' HD1' ' A' ' 55' ' ' PHE . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.651 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD22 HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' HG22 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.826 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 26.6 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG23 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.826 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.668 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.578 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.666 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.668 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CD1' HD11 ' A' ' 99' ' ' ILE . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.764 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 95' ' ' GLU . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.671 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.671 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.853 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.749 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HD3' HG22 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.596 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.902 HD21 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.898 HD23 HD12 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 27' ' ' LEU . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.853 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.7 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.719 HG23 HG21 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.694 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 63' ' ' THR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.682 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.565 HE21 ' HB2' ' A' ' 62' ' ' MET . 9.9 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.641 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.719 HG21 HG23 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.931 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.902 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.472 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.476 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.67 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.888 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.888 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.72 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.658 HG21 ' HB ' ' A' ' 28' ' ' VAL . 5.4 m . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.75 0.31 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HG2' HD11 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.736 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.645 ' CE2' HD23 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.603 ' H ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.603 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.914 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.736 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.68 ' HB3' HG11 ' A' ' 41' ' ' VAL . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HG22 ' A' ' 63' ' ' THR . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.779 HG23 HG11 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.842 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.696 HE21 ' H ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.678 ' O ' ' HA ' ' A' ' 92' ' ' SER . 7.5 p80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.842 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.523 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.815 ' HB3' HG23 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.701 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.663 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.997 ' HA ' HD12 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.751 ' HG2' ' HE2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 1.076 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.533 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 98' ' ' LYS . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 1.076 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' OH ' ' HA ' ' A' ' 50' ' ' MET . 97.1 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.691 HG21 HG12 ' A' ' 28' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 121.086 0.47 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.691 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.825 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.684 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.673 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.617 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.825 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.831 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.703 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.755 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.613 ' HA ' HG22 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.635 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.497 ' HD1' HG23 ' A' ' 99' ' ' ILE . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.554 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.667 ' HG3' ' HZ ' ' A' ' 86' ' ' PHE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.537 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG12 ' HD3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.735 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.778 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HG3' HG21 ' A' ' 41' ' ' VAL . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.706 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.817 HG23 HG21 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.561 HG22 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.555 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.709 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.51 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 16.1 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.817 HG21 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.555 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HD12 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 HD23 ' A' ' 82' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HZ ' HD11 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.676 ' HD2' HG12 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.437 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.632 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.64 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.509 ' O ' HG22 ' A' ' 49' ' ' THR . 59.2 m . . . . . 0 CA--C 1.516 -0.353 0 CA-C-O 120.312 0.101 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.789 HG21 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HD2' ' A' ' 32' ' ' PRO . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' H ' ' H ' ' A' ' 45' ' ' LYS . 8.9 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 44' ' ' GLN . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.865 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 26' ' ' THR . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.937 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.548 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 20.9 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.548 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.937 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.883 HG21 HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.757 ' H ' HD13 ' A' ' 37' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.592 ' H ' HD11 ' A' ' 82' ' ' LEU . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.575 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.503 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' H ' HG23 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.758 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.789 ' HE2' HG21 ' A' ' 28' ' ' VAL . 93.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.718 HG21 HG12 ' A' ' 28' ' ' VAL . 12.1 t . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.718 HG12 HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.815 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.813 HD12 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' LYS . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 35' ' ' LEU . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.486 ' H ' HG22 ' A' ' 26' ' ' THR . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.732 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CD2' HD22 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.694 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.612 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.612 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 75' ' ' VAL . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.79 HG21 HG22 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.736 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 77' ' ' CYS . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.72 ' HB3' HG23 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.736 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.604 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' HG3' ' HG3' ' A' ' 98' ' ' LYS . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.642 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.612 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.432 ' HE1' HG21 ' A' ' 28' ' ' VAL . 64.7 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 88.3 m . . . . . 0 CA--C 1.517 -0.314 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' C ' HD13 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.537 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HG2' HD22 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.81 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.692 ' H ' HG22 ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.81 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.784 ' CE2' HD12 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.629 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.764 ' HB3' HG21 ' A' ' 41' ' ' VAL . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.61 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.75 HG23 HG21 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.769 HG23 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.769 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.701 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 4.4 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.75 HG21 HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.75 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.707 HD11 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.745 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.75 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.838 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.689 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' A' ' 102' ' ' MET . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.692 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.705 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 27' ' ' LEU . 22.2 m . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.633 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.66 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.552 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.716 ' HB2' HD12 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.714 ' CE2' HD12 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.658 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.757 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.578 HD21 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.933 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.933 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD21 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD12 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.567 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.633 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.663 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HZ ' HD12 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.777 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.501 ' CD1' HD12 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.777 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.505 ' HE2' HG11 ' A' ' 28' ' ' VAL . 89.2 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 CA--C 1.515 -0.401 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.905 HG12 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.905 ' HD3' HG12 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.858 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.877 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.877 ' HE2' HD23 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 HD22 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 50' ' ' MET . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG12 ' CD2' ' A' ' 73' ' ' HIS . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.421 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.652 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HE2' HD13 ' A' ' 99' ' ' ILE . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.643 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.742 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.766 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.551 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.807 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 103' ' ' ILE . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.546 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.807 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 99' ' ' ILE . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 101' ' ' THR . 12.8 p90 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.1 p -146.71 -16.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -98.11 12.9 32.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.9 m -96.43 104.97 16.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -131.21 -24.13 2.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.816 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.4 ttp -145.82 11.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.6 t 61.51 176.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.05 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG22 ' H ' ' A' ' 10' ' ' THR . 5.8 p -135.26 128.39 18.36 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.054 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.9 24.69 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.666 2.244 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.605 ' H ' HG22 ' A' ' 8' ' ' VAL . 60.9 m -129.13 106.19 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.051 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 56.62 33.1 22.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -143.84 16.58 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 58.68 -173.21 0.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.815 0.34 . . . . 0.0 111.245 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.7 t -75.66 -67.47 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 41.3 m -128.39 144.34 51.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.051 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -88.05 21.76 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 15' ' ' THR . 57.9 m -91.14 167.86 12.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.543 ' HG2' ' HB2' ' A' ' 97' ' ' ARG . 23.0 tp60 -162.87 -56.32 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.534 0.683 . . . . 0.0 110.042 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.535 HG12 ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -114.92 139.63 24.48 Favored Pre-proline 0 N--CA 1.443 -0.808 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.909 -148.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.683 ' HB3' ' HB2' ' A' ' 24' ' ' GLN . 23.1 Cg_exo -66.16 96.2 0.33 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 123.096 2.53 . . . . 0.0 112.129 -174.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.616 ' HB1' ' HB2' ' A' ' 54' ' ' LEU . . . -163.51 18.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.742 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.6 p -176.7 -53.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.75 -47.83 29.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.403 171.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.683 ' HB2' ' HB3' ' A' ' 20' ' ' PRO . 48.4 mt-30 -108.77 85.31 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.346 171.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 26' ' ' THR . 33.0 tt0 -78.04 -79.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.404 -166.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.49 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.9 m 85.0 126.26 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.439 0.462 . . . . 0.0 110.576 -173.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -79.8 78.35 6.39 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.233 0.54 . . . . 0.0 109.709 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.842 HG12 ' HD3' ' A' ' 30' ' ' PRO . 28.6 t -63.38 144.15 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.221 -164.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -143.37 87.06 8.64 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.09 171.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.842 ' HD3' HG12 ' A' ' 28' ' ' VAL . 70.7 Cg_endo -92.36 172.94 2.31 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 123.202 2.601 . . . . 0.0 112.589 -176.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 61.0 mttp -79.57 161.36 67.23 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.414 170.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HA ' HD23 ' A' ' 35' ' ' LEU . 93.8 Cg_exo -43.43 97.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.631 2.221 . . . . 0.0 112.446 179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 84' ' ' ASP . 16.3 tp -172.75 -42.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.543 -173.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 30' ' ' PRO . 43.5 mt -100.67 -7.45 23.86 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.938 176.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -101.27 -40.1 7.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.318 -176.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.4 mtpt -58.69 -11.32 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.893 159.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.865 HD21 HD22 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -91.16 -47.3 7.6 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.004 179.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 53' ' ' VAL . 7.1 mp -96.47 -45.45 6.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.493 -170.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 49.7 mttm -53.72 -21.37 7.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 177.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -68.2 -54.98 14.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.041 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.47 -42.58 75.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.837 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.27 -18.01 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.601 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.03 160.48 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.362 -177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -173.33 77.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.762 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -139.59 164.3 30.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.67 -24.47 49.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.9 p -140.32 -179.8 6.21 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.964 176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 84.1 m-85 -147.9 -179.87 7.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.139 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 HD22 ' A' ' 27' ' ' LEU . 44.1 p -134.71 157.01 47.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.692 171.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.577 ' HB3' ' HA ' ' A' ' 21' ' ' ALA . 55.6 mtt -61.31 -10.33 6.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 5.5 ttpm? -87.73 -47.02 8.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.046 0.451 . . . . 0.0 110.202 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.687 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.1 tt0 -57.69 -59.53 5.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.008 170.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.784 ' HA ' HD21 ' A' ' 38' ' ' LEU . 41.3 t -53.68 -30.49 18.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.404 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 62.6 tp -53.19 -72.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.716 0.293 . . . . 0.0 110.868 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 15.3 p90 -73.1 -24.16 60.61 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.184 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -78.45 -49.58 13.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.371 -174.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.9 tp -58.77 -35.44 72.77 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 172.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.41 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -53.46 -39.49 59.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.057 168.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -61.93 -60.07 4.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.422 0.153 . . . . 0.0 110.846 177.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.695 ' HD1' HD23 ' A' ' 82' ' ' LEU . 38.9 t80 -57.42 -41.31 80.12 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.238 -171.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.795 HG23 HG21 ' A' ' 75' ' ' VAL . 41.1 mt -55.63 -66.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.94 0.4 . . . . 0.0 110.673 175.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 24.6 mmt -51.47 -30.75 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.406 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.53 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -94.67 -175.77 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.174 -178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 46.8 mmtm 61.57 8.73 2.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.178 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' HD23 ' A' ' 66' ' ' LEU . 96.9 mtt180 49.67 68.0 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.552 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' OD1' ' A' ' 80' ' ' ASP . 13.7 mt -123.62 -10.15 7.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.017 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 13.1 p90 -74.56 166.31 23.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.271 -174.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HB3' ' O ' ' A' ' 74' ' ' ILE . 26.8 p30 -52.57 -151.99 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.609 170.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -150.92 20.84 0.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.656 166.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -102.94 -62.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.817 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 44.2 mt-30 -136.93 20.14 3.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 69.2 mt-30 53.76 48.64 20.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -140.24 -10.94 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.461 -179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 5.6 mm -105.14 76.68 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.247 0.546 . . . . 0.0 110.406 168.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.795 HG21 HG23 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.31 107.43 16.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.878 -172.001 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.673 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 9.6 m-85 -82.49 127.44 33.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.887 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.419 ' SG ' HG22 ' A' ' 75' ' ' VAL . 76.8 m -131.7 72.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -174.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -90.66 117.82 29.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.516 171.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 59.27 61.98 1.92 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.027 0.442 . . . . 0.0 110.759 -174.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' OD1' HD22 ' A' ' 66' ' ' LEU . 20.8 m-20 -139.19 156.23 47.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.89 -178.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.587 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 7.3 mp -62.4 -39.44 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.371 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.865 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.28 -32.05 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.209 169.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.64 -41.98 98.89 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.502 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -53.9 -30.5 46.35 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.692 0.282 . . . . 0.0 110.756 177.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.706 HD12 HD13 ' A' ' 82' ' ' LEU . 13.0 mt -55.96 -64.4 0.87 Allowed 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.443 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -115.76 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 170.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.443 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 141.12 11.13 0.59 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.679 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.867 HG21 ' HB3' ' A' ' 91' ' ' PHE . 32.1 m -64.76 151.29 92.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 111.299 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 94.6 Cg_endo -77.28 -12.54 17.23 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.458 2.105 . . . . 0.0 111.634 163.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.673 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.1 p -168.24 140.79 3.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.509 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.867 ' HB3' HG21 ' A' ' 88' ' ' VAL . 48.8 p90 -144.96 149.27 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 111.591 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 39.2 t -93.55 102.23 14.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.057 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.9 p -68.99 -23.11 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.872 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -55.6 -38.84 69.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.756 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 7.3 pt-20 -94.42 84.66 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.726 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.678 ' HA ' HG22 ' A' ' 99' ' ' ILE . 45.1 m-70 -68.51 -17.85 64.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.18 -173.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.543 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . 76.3 ttt180 -64.46 -58.42 6.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.768 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 102' ' ' MET . 9.0 mtpm? -74.78 -30.43 61.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.179 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.685 ' O ' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -70.44 -39.87 76.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.121 -175.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.0 m-30 -86.83 -24.15 25.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.57 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.538 HG22 ' HA ' ' A' ' 98' ' ' LYS . 7.8 t -72.5 -27.05 62.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 110.92 177.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.636 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 23.0 ptt? -89.95 -20.39 23.38 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.033 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.685 HG12 ' O ' ' A' ' 99' ' ' ILE . 22.5 mm -53.18 -56.12 9.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-O 120.903 0.382 . . . . 0.0 110.702 165.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 50' ' ' MET . 85.5 m-85 -85.78 86.55 7.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.615 175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -68.19 -72.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.125 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.51 -81.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.041 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -172.42 146.71 1.82 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 179.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 30' ' ' PRO . 4.0 p -176.15 111.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.992 176.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.447 HG12 HG21 ' A' ' 26' ' ' THR . 29.5 m -142.91 -174.97 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.299 -177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.2 p -55.35 144.1 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.073 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.4 -70.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.017 -178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.42 93.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.26 148.33 37.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -131.74 176.64 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.0 p -136.21 146.58 46.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -87.56 40.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.93 -83.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.7 t -93.12 92.13 7.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.928 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.866 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtm . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.812 0.339 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.2 p -105.18 -22.37 13.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -92.81 136.49 33.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.6 m -109.02 94.49 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -160.3 129.07 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.36 48.11 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.984 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -105.64 137.82 42.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.8 p -147.49 94.9 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.42 -178.27 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.5 m 66.23 129.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.319 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -61.91 133.0 54.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.94 -134.67 0.37 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.58 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.18 -173.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.807 0.337 . . . . 0.0 111.218 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.77 -72.49 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 t -94.76 149.17 21.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -135.26 149.91 49.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.1 t 61.97 173.45 0.13 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.017 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.778 ' HG3' HG23 ' A' ' 19' ' ' ILE . 3.6 pt20 -150.41 -41.5 0.13 Allowed 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.474 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.778 HG23 ' HG3' ' A' ' 18' ' ' GLN . 22.5 pt -78.65 110.26 13.53 Favored Pre-proline 0 N--CA 1.445 -0.677 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.499 -155.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 144.01 98.74 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.651 2.234 . . . . 0.0 112.37 -176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 161.81 28.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.949 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.8 m 61.25 11.83 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.034 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -85.2 -76.58 0.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.441 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' MET . 25.0 mt-30 -97.47 63.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 169.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.666 ' O ' ' HB ' ' A' ' 26' ' ' THR . 36.0 tt0 -57.12 -58.59 7.54 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -173.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.666 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.1 m 84.51 -39.11 0.06 Allowed 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 168.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.688 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.1 OUTLIER 52.19 83.33 0.06 Allowed 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -162.234 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.827 ' H ' ' HA ' ' A' ' 49' ' ' THR . 90.0 t -77.98 110.95 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.069 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.034 -158.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.688 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 39.7 mtp180 -138.67 61.86 25.73 Favored Pre-proline 0 N--CA 1.436 -1.159 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.071 -171.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' HG12 ' A' ' 28' ' ' VAL . 91.4 Cg_endo -89.82 163.75 5.05 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 122.787 2.325 . . . . 0.0 112.637 -172.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 3.7 mppt? -64.76 162.22 38.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.253 171.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 2.3 Cg_endo -45.19 95.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.89 2.393 . . . . 0.0 112.386 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -169.68 -30.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.32 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.64 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 5.9 mp -126.4 19.96 7.41 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -134.69 -44.62 0.74 Allowed 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.201 -177.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' O ' HD23 ' A' ' 81' ' ' LEU . 36.4 ttpt -53.24 -14.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 155.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.875 HD21 HD22 ' A' ' 82' ' ' LEU . 2.5 tm? -87.15 -42.47 12.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.02 173.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.729 ' O ' HG23 ' A' ' 41' ' ' VAL . 44.0 mt -94.55 -52.5 4.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.465 -171.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 57.3 mttm -42.89 -26.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.208 172.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.1 t -65.86 -53.32 41.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.13 -47.45 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.706 177.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 165.43 -13.75 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.347 -174.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.603 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.09 141.88 21.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.295 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 50.0 mt-30 -150.57 68.1 0.96 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.257 -176.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -139.84 164.43 29.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.954 172.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -78.08 -26.67 48.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.67 176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.504 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 51.6 p -133.03 178.67 6.71 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.2 175.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.771 ' CE1' HD23 ' A' ' 35' ' ' LEU . 87.1 m-85 -142.78 -175.06 4.34 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.035 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.827 ' HA ' ' H ' ' A' ' 28' ' ' VAL . 59.3 p -138.78 -173.82 3.67 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.439 160.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.7 ppp? -88.47 -4.24 58.66 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.227 -169.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 14.3 ptmm? -92.27 -44.77 8.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.054 0.454 . . . . 0.0 110.015 173.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.4 tp10 -49.18 -66.82 0.33 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.926 164.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.658 HG22 HD11 ' A' ' 38' ' ' LEU . 86.6 t -56.79 -29.13 29.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.394 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 61.5 tp -48.82 -71.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.664 175.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.9 p90 -79.84 -14.83 58.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.387 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.685 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -81.71 -56.51 3.95 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.688 0.28 . . . . 0.0 111.419 -178.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.679 HD22 HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.86 -36.89 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 171.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -51.45 -45.43 53.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.237 170.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 7.6 mm100 -51.83 -70.88 0.08 Allowed 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.72 0.26 . . . . 0.0 110.784 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.699 ' HA ' ' HB ' ' A' ' 63' ' ' THR . 21.3 t80 -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.082 -163.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.733 HG23 HG11 ' A' ' 75' ' ' VAL . 54.4 mt -54.39 -67.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.056 0.455 . . . . 0.0 110.464 170.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.511 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.8 ptm -69.59 1.49 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.381 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 60' ' ' TYR . 40.1 m -110.33 165.91 11.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.697 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' N ' HG22 ' A' ' 63' ' ' THR . 72.0 mmtt 66.33 12.91 8.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.991 0.424 . . . . 0.0 111.143 175.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' C ' HD22 ' A' ' 66' ' ' LEU . 57.6 ttp180 55.32 80.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.203 179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 77' ' ' CYS . 1.8 mm? -135.0 -13.52 2.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.979 173.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 69' ' ' GLU . 26.5 p90 -81.49 161.72 23.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.019 0.438 . . . . 0.0 110.977 -176.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 69' ' ' GLU . 14.0 t0 -71.2 -9.9 58.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.19 -167.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 38.7 tt0 73.03 -20.48 0.28 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.474 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.8 mmtt -73.08 -59.45 2.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.808 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.689 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -132.86 18.59 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 178.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 55.71 21.63 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 93' ' ' VAL . 27.8 t-80 -96.14 -67.96 0.82 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.222 -174.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.2 mm -71.26 137.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.463 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.733 HG11 HG23 ' A' ' 61' ' ' ILE . 2.3 t -124.27 94.79 2.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.401 -170.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.682 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.4 m-85 -76.24 91.67 3.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.914 173.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.745 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 7.3 p -79.0 -57.81 3.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.946 -176.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.5 t 52.4 89.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.263 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 m120 61.99 16.38 8.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -76.55 168.6 19.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.498 174.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD23 ' O ' ' A' ' 36' ' ' LYS . 8.8 mp -66.05 -42.69 89.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 0.0 110.518 173.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.875 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -53.42 -20.85 5.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.196 167.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.48 -39.12 31.2 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.54 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.562 ' O ' HD11 ' A' ' 33' ' ' LEU . 9.5 m-20 -53.3 -28.55 28.78 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.874 0.368 . . . . 0.0 110.366 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.758 ' HG ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -55.0 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.741 174.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HE1' HD12 ' A' ' 82' ' ' LEU . 2.2 m-85 -88.79 -58.73 2.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.002 -171.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.91 2.06 32.01 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.691 -162.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.5 ' H ' ' HB2' ' A' ' 86' ' ' PHE . 27.0 m -74.91 161.64 76.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.67 0.272 . . . . 0.0 111.303 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 91.9 Cg_endo -79.25 -40.43 0.27 Allowed 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.539 2.159 . . . . 0.0 111.824 159.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.682 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.3 p -144.19 145.33 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.726 179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.596 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.0 p90 -139.7 163.24 33.11 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.85 0.357 . . . . 0.0 111.407 173.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.496 ' OG ' ' HB2' ' A' ' 95' ' ' GLU . 70.6 p -77.2 -150.03 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' HIS . 7.6 p -178.66 -38.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.782 176.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 73' ' ' HIS . 67.6 mttm -69.81 -18.4 63.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.182 168.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' HB2' ' OG ' ' A' ' 92' ' ' SER . 9.9 mm-40 -86.0 55.33 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.301 170.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.686 ' HA ' HG22 ' A' ' 99' ' ' ILE . 43.9 m-70 -55.68 -32.31 63.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.276 -169.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -58.18 -60.01 4.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.86 -32.29 67.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.166 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.742 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.1 OUTLIER -71.81 -33.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.959 -173.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 103' ' ' ILE . 4.2 m-30 -91.02 -18.92 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.365 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.8 m -71.83 -30.02 65.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.742 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 22.2 ptt? -92.13 -23.95 19.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.21 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.545 HD12 ' CD1' ' A' ' 100' ' ' TYR . 38.1 mt -64.53 -47.74 87.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 167.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.469 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 74.4 m-85 -87.13 78.9 8.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.004 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -132.35 65.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.36 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -133.68 177.87 7.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.908 -176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 107' ' ' LEU . 5.9 mp -117.77 44.75 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.788 -178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.4 p -159.48 -20.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.103 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG23 ' H ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -54.43 -87.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.478 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.682 ' H ' HG23 ' A' ' 109' ' ' VAL . 56.5 t -65.78 137.94 23.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.808 0.337 . . . . 0.0 110.994 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.59 88.49 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -74.05 94.46 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -132.06 107.6 8.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -125.24 134.93 52.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -99.51 73.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.1 t 56.71 86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.12 134.33 36.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -97.5 103.8 15.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.018 -179.699 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtm . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.763 0.316 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 82.2 m -139.56 14.2 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -119.04 36.82 4.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.587 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 m -156.87 132.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.019 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -101.82 114.29 28.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -89.36 82.11 6.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.5 t -110.0 -60.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.815 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.9 p -144.44 89.54 6.86 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.24 -62.39 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.689 2.259 . . . . 0.0 112.263 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -139.26 164.49 29.7 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -110.96 29.07 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.67 102.45 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.19 131.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.37 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.649 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -105.67 172.82 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.649 ' H ' HG12 ' A' ' 14' ' ' VAL . 69.6 m -72.73 105.44 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.061 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -143.76 178.55 7.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' A' ' 23' ' ' GLU . 80.9 p -58.99 173.64 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.017 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -145.9 -40.81 0.22 Allowed 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.186 0.517 . . . . 0.0 110.389 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.486 HD11 ' CE ' ' A' ' 50' ' ' MET . 3.0 pt -74.67 158.52 84.77 Favored Pre-proline 0 N--CA 1.448 -0.527 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.131 -155.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -56.58 83.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.477 2.118 . . . . 0.0 112.229 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' CB ' ' HE1' ' A' ' 50' ' ' MET . . . -170.92 -169.18 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -175.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -110.69 26.99 10.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 40.3 tt0 55.87 94.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.031 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.451 ' HB2' ' HD3' ' A' ' 51' ' ' LYS . 29.5 tt0 64.02 146.99 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -175.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.753 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.3 pt-20 -177.3 -63.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.015 0.436 . . . . 0.0 111.472 -168.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.753 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 54.5 m -109.38 119.2 38.75 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.749 -167.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.886 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -72.82 76.27 1.14 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 171.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 26' ' ' THR . 0.1 OUTLIER -80.5 133.1 30.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.037 -0.983 . . . . 0.0 109.736 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.66 ' HE ' HD12 ' A' ' 27' ' ' LEU . 77.8 mtt180 -129.14 79.04 75.15 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.586 -165.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.86 157.43 13.7 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.791 2.328 . . . . 0.0 112.736 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -60.13 151.15 67.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.599 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD13 ' A' ' 35' ' ' LEU . 14.5 Cg_endo -57.29 96.96 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.585 2.19 . . . . 0.0 112.309 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.572 ' HG ' ' HA ' ' A' ' 85' ' ' LEU . 13.9 tp -151.88 -23.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.693 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 2.2 pp -131.59 5.73 4.35 Favored 'General case' 0 N--CA 1.447 -0.585 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.777 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.5 mp -103.85 -30.4 10.38 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.42 -177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.53 ' O ' HD23 ' A' ' 81' ' ' LEU . 4.5 mmmp? -60.29 -13.89 15.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.407 0.622 . . . . 0.0 109.535 155.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.693 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 3.5 tm? -88.32 -33.94 17.82 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.218 177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 56' ' ' TYR . 50.2 mt -100.35 -51.23 3.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.339 -173.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' N ' ' HB3' ' A' ' 43' ' ' ALA . 54.4 mtmt -51.82 -18.45 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.849 0.357 . . . . 0.0 110.577 170.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 t -68.17 -50.81 52.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.912 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -56.3 -77.05 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.151 0.501 . . . . 0.0 110.61 176.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -151.97 -12.67 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' N ' ' A' ' 39' ' ' LYS . . . -56.33 161.77 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 111.148 179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -156.2 5.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.707 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -98.04 139.89 33.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -76.05 -3.28 34.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 27' ' ' LEU . 26.6 p -127.03 149.28 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.202 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.777 ' CE1' HD23 ' A' ' 35' ' ' LEU . 78.0 m-85 -140.19 -174.73 4.02 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.567 0.699 . . . . 0.0 111.645 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.752 HG22 ' HA ' ' A' ' 27' ' ' LEU . 50.2 p -129.37 -169.73 2.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.01 161.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 19' ' ' ILE . 2.8 ppp? -86.19 -26.98 24.82 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.032 -175.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.451 ' HD3' ' HB2' ' A' ' 24' ' ' GLN . 82.7 tttt -82.67 -41.17 19.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.188 0.518 . . . . 0.0 110.0 175.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.615 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 6.1 tp10 -51.7 -61.6 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.531 174.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.653 HG13 HD11 ' A' ' 38' ' ' LEU . 55.2 t -59.27 -33.11 49.89 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.07 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 2.9 tm? -47.4 -74.29 0.03 OUTLIER 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.791 179.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.9 p90 -66.07 -24.03 66.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.883 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.43 -33.3 67.0 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.574 -176.298 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -72.92 -35.75 67.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 174.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -57.33 -38.71 88.09 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.066 167.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.672 ' HB3' HG11 ' A' ' 41' ' ' VAL . 11.7 mm-40 -57.19 -59.0 5.75 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.735 0.302 . . . . 0.0 110.691 176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.85 -51.81 64.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.367 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.742 HG22 HG21 ' A' ' 75' ' ' VAL . 5.6 pt -60.26 -47.73 91.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.501 -175.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 55.9 mtm -68.0 -24.22 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.724 0.297 . . . . 0.0 111.247 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 99.5 m -87.7 -63.24 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.769 -173.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.9 mmmp? -80.15 26.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.67 -167.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.426 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 20.9 tpp180 67.44 2.6 2.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 80' ' ' ASP . 2.8 mm? -85.74 81.48 8.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.617 173.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.694 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 4.8 p90 -178.27 165.23 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.912 0.387 . . . . 0.0 110.827 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 11.0 t70 -63.12 -11.15 18.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.303 -168.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 40.6 tt0 73.4 -19.19 0.34 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.581 174.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' A' ' 68' ' ' ASP . 97.9 mttt -116.6 -68.72 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.929 0.395 . . . . 0.0 110.422 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 14.5 mm100 -91.31 90.37 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.228 166.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 38.2 mt-30 -55.37 -17.08 4.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.012 -175.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.735 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 75.8 m80 -57.63 -25.96 60.89 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.701 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 12.0 mm -100.4 158.52 3.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.768 0.318 . . . . 0.0 110.357 172.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.742 HG21 HG22 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -154.24 107.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.136 0.493 . . . . 0.0 111.219 177.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.679 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.9 m-85 -89.44 121.54 31.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.514 172.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 82' ' ' LEU . 17.0 p -144.03 78.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.321 -167.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.7 m -72.15 118.93 15.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 172.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 60.36 70.39 0.63 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.706 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.504 ' CB ' ' HB2' ' A' ' 77' ' ' CYS . 24.0 t0 -126.57 163.51 23.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 36' ' ' LYS . 9.2 mp -57.82 -42.46 84.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.587 174.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.699 ' HG ' ' HE2' ' A' ' 91' ' ' PHE . 1.8 tm? -48.21 -46.27 34.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.006 167.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.446 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -53.48 -36.89 54.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.6 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -56.73 -43.77 81.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.606 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -86.87 -24.24 24.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -174.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.764 ' HZ ' ' HB2' ' A' ' 102' ' ' MET . 0.0 OUTLIER -128.39 -66.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.959 -175.397 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.446 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 105.76 -5.6 40.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.753 176.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 91' ' ' PHE . 27.0 m -60.12 147.76 79.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.729 0.299 . . . . 0.0 111.274 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 75.6 Cg_endo -74.99 -12.05 21.52 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.408 2.072 . . . . 0.0 111.586 163.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.679 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 48.7 p -167.58 141.19 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.791 177.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.729 ' HE1' HG13 ' A' ' 93' ' ' VAL . 25.9 p90 -139.56 155.17 47.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.961 0.41 . . . . 0.0 111.131 166.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 47.7 t -114.75 101.81 9.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.005 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.729 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.36 -26.21 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.04 172.07 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 73' ' ' HIS . 61.5 tttm -47.87 -37.8 14.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.79 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.26 68.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.645 173.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.502 ' HA ' HG22 ' A' ' 99' ' ' ILE . 67.8 m80 -53.03 -31.51 41.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.021 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.88 -67.9 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.77 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.62 ' O ' ' HG3' ' A' ' 102' ' ' MET . 29.4 mtpp -62.02 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 -177.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 100' ' ' TYR . 0.1 OUTLIER -56.83 -35.05 45.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -177.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.606 ' CD1' HG23 ' A' ' 99' ' ' ILE . 3.7 m-30 -100.32 0.31 39.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.714 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.7 m -91.11 -23.81 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.45 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.764 ' HB2' ' HZ ' ' A' ' 86' ' ' PHE . 35.5 mtm -82.81 -39.8 21.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.311 170.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.52 HD12 ' CD1' ' A' ' 100' ' ' TYR . 23.3 mt -61.12 -55.84 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.07 176.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.463 ' HD1' ' O ' ' A' ' 100' ' ' TYR . 88.8 m-85 -81.76 128.22 33.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.805 0.335 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -146.28 -28.98 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.737 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -85.52 155.61 21.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 26.1 tp -88.76 12.22 15.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.1 m -61.41 118.14 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.472 HG12 HG21 ' A' ' 26' ' ' THR . 30.5 m -144.59 -165.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.5 t -51.25 -70.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.263 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 61.54 -84.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.286 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.12 122.42 16.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.988 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -135.44 -76.26 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 53.44 81.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m 56.43 30.12 16.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.4 t 61.55 -86.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.203 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.19 56.07 7.96 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.043 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.0 t -65.56 96.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.884 179.754 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -99.22 127.73 45.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.459 ' C ' HD22 ' A' ' 3' ' ' ASN . 0.2 OUTLIER -96.02 15.5 20.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 -179.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.666 HG22 ' H ' ' A' ' 6' ' ' MET . 55.4 m -104.92 139.04 40.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.064 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -102.99 30.2 4.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.666 ' H ' HG22 ' A' ' 4' ' ' THR . 16.1 tpt -88.76 -63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -110.25 26.15 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.75 127.19 25.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 143.46 48.44 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.492 2.128 . . . . 0.0 112.415 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.4 p -106.27 4.52 28.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.51 137.09 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.56 2.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -142.26 140.39 32.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -118.5 -42.84 2.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.8 m -146.51 94.29 2.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -137.21 14.95 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.075 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 81.0 p -145.75 -172.5 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.815 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' OE1' ' HB2' ' A' ' 96' ' ' HIS . 35.7 tt0 -163.9 -86.87 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 121.568 0.699 . . . . 0.0 110.157 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.18 132.65 23.88 Favored Pre-proline 0 N--CA 1.435 -1.209 0 CA-C-N 114.662 -1.154 . . . . 0.0 110.639 -167.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 30.7 Cg_exo -64.67 151.74 84.54 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.164 2.576 . . . . 0.0 112.853 -160.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.61 -161.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.9 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m -84.14 -51.62 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.226 172.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' HB3' ' OE2' ' A' ' 25' ' ' GLU . 9.4 tp10 -158.03 54.76 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.151 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 50.56 37.39 15.99 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.062 -174.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.694 ' HA ' ' H ' ' A' ' 50' ' ' MET . 6.3 pt-20 -151.94 -43.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.172 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.544 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 2.0 m 72.97 -38.73 0.43 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.992 -179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.7 mm? 61.81 74.4 0.44 Allowed 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.768 0.794 . . . . 0.0 109.413 -157.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.603 HG12 ' HD3' ' A' ' 30' ' ' PRO . 47.6 t -80.95 112.63 19.22 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 CA-C-N 114.138 -1.392 . . . . 0.0 110.944 -166.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 55.3 mtm180 -138.64 60.84 21.12 Favored Pre-proline 0 C--N 1.308 -1.197 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.196 -168.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.669 ' HB3' ' HA ' ' A' ' 108' ' ' VAL . 83.1 Cg_endo -92.32 179.99 1.22 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.954 2.436 . . . . 0.0 112.75 -171.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.9 mptt -63.16 161.4 32.08 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 171.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 18.2 Cg_endo -58.07 84.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.463 2.109 . . . . 0.0 112.423 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.9 pp -174.11 10.44 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.569 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 35' ' ' LEU . 1.9 mm? -128.22 -1.98 5.71 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 166.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.812 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -132.15 -26.39 1.92 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.364 -172.078 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.79 -9.78 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.365 0.602 . . . . 0.0 109.573 155.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.81 ' HG ' HD11 ' A' ' 85' ' ' LEU . 3.4 tm? -98.47 -31.17 12.13 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.82 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.2 mt -103.93 -46.03 4.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.676 -171.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 56.0 mtmt -53.06 -16.41 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 110.776 172.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.1 m -71.85 -47.79 50.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.055 174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -57.8 -78.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 178.058 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.4 11.6 0.22 Allowed Glycine 0 N--CA 1.448 -0.518 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.143 174.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -76.28 164.71 25.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.735 0.302 . . . . 0.0 111.037 176.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -172.9 62.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.013 0.435 . . . . 0.0 110.963 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -141.81 179.27 6.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -99.22 -15.97 18.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 29' ' ' ARG . 59.8 p -131.12 159.89 36.32 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 121.162 0.506 . . . . 0.0 111.429 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.812 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.5 m-85 -134.09 -170.52 2.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.018 172.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.589 ' HB ' ' HB2' ' A' ' 25' ' ' GLU . 22.2 p -144.66 161.36 39.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.35 162.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.694 ' H ' ' HA ' ' A' ' 25' ' ' GLU . 52.6 mtp -67.71 -8.5 35.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.906 -165.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 40.9 ttmt -89.6 -43.96 10.41 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.377 0.608 . . . . 0.0 109.763 175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.619 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 16.8 tt0 -53.94 -60.33 3.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.318 167.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 25.6 t -56.36 -31.19 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.256 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.2 tt -51.31 -67.61 0.24 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.501 177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.5 p90 -73.71 -39.7 64.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.633 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.53 -44.01 96.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.538 -174.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.91 -44.73 84.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 174.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.52 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.56 -35.28 15.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.072 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.6 mm-40 -62.97 -65.91 0.62 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.633 0.254 . . . . 0.0 110.771 177.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HD1' HD23 ' A' ' 82' ' ' LEU . 21.7 t80 -55.35 -38.35 68.66 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -171.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.715 HG23 HG11 ' A' ' 75' ' ' VAL . 42.4 mt -59.47 -72.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.898 178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.5 ptm -62.58 -18.46 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.85 -172.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 94.8 m -92.81 -45.36 8.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -170.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 60' ' ' TYR . 47.5 mmtm -77.36 17.34 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 0.0 111.523 -170.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 98.8 mtt180 62.31 22.33 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.517 173.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.8 mm? -85.03 -10.26 57.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.667 170.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.577 ' H ' ' HD1' ' A' ' 67' ' ' TYR . 1.7 p90 -81.65 171.38 14.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.201 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.759 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 12.4 t70 -76.61 -6.38 51.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.188 -169.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.2 tt0 74.13 -18.32 0.41 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.601 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 61.1 mttp -95.06 -72.15 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.753 0.311 . . . . 0.0 111.052 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -106.72 6.95 30.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.495 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 84.8 mt-30 55.03 16.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.461 175.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' HG23 ' A' ' 93' ' ' VAL . 40.6 m80 -97.32 -51.36 4.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.608 0.242 . . . . 0.0 111.076 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.759 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 22.2 mm -73.45 144.2 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.19 173.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.715 HG11 HG23 ' A' ' 61' ' ' ILE . 2.7 t -135.57 90.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.866 0.365 . . . . 0.0 111.275 -175.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 10.0 m-85 -68.12 107.62 2.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.969 173.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.563 ' HA ' HD12 ' A' ' 66' ' ' LEU . 20.7 p -150.45 77.6 1.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 -174.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 m -92.16 0.88 57.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -157.95 68.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 25.6 t0 -144.98 166.5 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.869 -175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 mm? -59.25 -37.75 78.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.018 0.437 . . . . 0.0 110.37 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.874 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -55.63 -30.66 61.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.174 169.585 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.53 99.13 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.328 175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.521 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.51 -28.48 54.95 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.842 0.353 . . . . 0.0 110.636 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 HD13 ' A' ' 82' ' ' LEU . 60.8 mt -73.04 -65.59 0.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 174.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB3' HG13 ' A' ' 88' ' ' VAL . 13.6 m-85 -97.66 -60.37 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.102 -174.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.25 -3.75 69.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.902 -168.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 21.2 m -65.34 155.03 86.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.671 0.272 . . . . 0.0 111.157 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.654 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 73.0 Cg_endo -74.52 -21.58 16.88 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.418 2.078 . . . . 0.0 111.75 165.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.644 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 54.2 p -163.86 141.94 7.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.284 176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 29.8 p90 -138.28 159.17 42.76 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.681 173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.594 ' O ' HG13 ' A' ' 99' ' ' ILE . 74.4 m -113.98 99.44 7.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.264 -170.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -63.49 -12.83 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 172.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -56.04 -24.09 37.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.107 0.48 . . . . 0.0 110.349 171.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 15.4 mt-10 -91.31 -178.62 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.533 174.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.601 ' HD2' ' H ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -167.0 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.091 -179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.601 ' H ' ' HD2' ' A' ' 96' ' ' HIS . 99.1 mtt180 -65.96 -65.3 0.69 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.995 0.426 . . . . 0.0 110.182 171.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.624 ' O ' ' HG3' ' A' ' 102' ' ' MET . 12.3 mptt -71.82 -36.85 70.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.995 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.682 HD11 ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -70.95 -32.37 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.312 -170.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 7.4 m-30 -84.42 -27.52 27.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.183 175.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -61.8 -36.08 80.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.901 172.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.655 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 66.8 mtm -71.15 -43.89 66.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.617 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 99' ' ' ILE . 63.4 mt -53.45 -35.81 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.832 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.493 ' HA ' HG11 ' A' ' 108' ' ' VAL . 81.4 m-85 -111.06 84.01 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.728 177.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -86.64 -79.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.02 -176.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -134.79 143.46 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.0 mt 55.09 67.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.014 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.669 ' HA ' ' HB3' ' A' ' 30' ' ' PRO . 7.2 p -157.51 -32.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.474 HG23 HG23 ' A' ' 26' ' ' THR . 8.7 p -95.81 147.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.838 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.4 p -56.38 139.05 16.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.181 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.17 156.11 38.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -69.24 118.01 11.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -86.48 46.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.69 -27.23 10.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.3 p -65.17 120.96 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 48.0 t -107.5 109.29 20.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.99 14.35 14.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.7 p -97.55 99.66 11.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.002 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -99.22 25.35 6.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.991 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -137.53 117.43 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 56.3 m -141.38 -31.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.017 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.27 -85.47 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.253 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.6 ptm -169.84 -169.78 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.845 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.3 p -61.23 157.45 16.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 10' ' ' THR . 5.5 p -105.73 125.06 34.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 31.2 Cg_exo -59.81 -32.26 95.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.691 2.261 . . . . 0.0 112.25 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 8' ' ' VAL . 53.5 m 54.93 88.22 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -81.05 134.67 35.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.34 51.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.02 -6.62 53.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.157 0.503 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.447 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -53.79 157.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.407 179.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 55.2 m -93.65 89.47 6.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.039 -175.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.3 m -115.72 -41.11 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -74.94 -167.9 0.66 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.776 177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 6.9 tp60 -151.25 -62.72 0.18 Allowed 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 121.614 0.721 . . . . 0.0 109.78 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.4 tt -106.72 137.57 19.52 Favored Pre-proline 0 N--CA 1.44 -0.965 0 CA-C-N 114.228 -1.351 . . . . 0.0 110.76 -153.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' GLU . 16.1 Cg_exo -69.26 105.16 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.114 2.543 . . . . 0.0 112.312 -169.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.81 150.63 46.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.974 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 59.86 14.64 4.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.081 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 20' ' ' PRO . 10.2 tp10 -107.1 -62.17 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -116.46 90.6 3.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.377 173.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.702 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 39.4 tt0 -104.42 -103.17 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -169.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.734 HG21 HG12 ' A' ' 28' ' ' VAL . 12.2 t 159.53 178.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.137 0.494 . . . . 0.0 111.118 -163.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -144.77 67.4 1.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.173 -0.921 . . . . 0.0 108.726 143.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.734 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -82.17 145.52 8.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.819 -157.305 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -134.03 73.38 70.58 Favored Pre-proline 0 N--CA 1.446 -0.629 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.321 -175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.649 ' HD3' HG22 ' A' ' 28' ' ' VAL . 91.6 Cg_endo -91.2 157.64 3.81 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.938 2.426 . . . . 0.0 112.889 -164.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 33' ' ' LEU . 75.7 mmtt -58.63 154.07 37.23 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.222 169.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.62 88.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.621 2.214 . . . . 0.0 112.726 -175.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 ' O ' HD23 ' A' ' 34' ' ' LEU . 67.6 mt -150.22 -17.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.993 178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 33' ' ' LEU . 18.2 mt -124.23 10.04 8.65 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.85 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.5 OUTLIER -128.98 -35.41 1.85 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.479 -167.099 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.38 -6.91 33.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.399 0.619 . . . . 0.0 109.496 151.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.782 ' HG ' HD21 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -91.99 -35.07 14.18 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.38 174.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.523 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 2.4 mp -106.93 -54.13 2.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.596 -169.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 10.5 mtmp? -54.19 -18.47 3.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.88 0.372 . . . . 0.0 110.642 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -72.99 -46.83 50.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 175.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 59' ' ' GLN . 3.6 p -78.28 -27.53 14.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.54 -175.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 169.85 -25.59 0.1 Allowed Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.402 -0.904 . . . . 0.0 113.11 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.608 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -57.9 168.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.731 0.3 . . . . 0.0 111.451 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -176.23 72.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.549 ' NZ ' ' HG2' ' A' ' 52' ' ' GLU . 51.4 mtmt -142.16 175.85 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.008 176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.4 p-10 -92.3 -20.35 21.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.498 HG23 ' OD2' ' A' ' 46' ' ' ASP . 68.4 p -139.76 172.15 13.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.734 175.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.85 ' CE1' HD23 ' A' ' 35' ' ' LEU . 83.3 m-85 -142.12 172.05 13.22 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.586 0.708 . . . . 0.0 111.732 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.659 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.9 p -133.68 156.5 47.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.641 172.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.702 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 26.1 mtp -58.74 -16.47 16.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.64 -165.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 14.5 tmtt? -91.55 -47.06 7.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.975 0.417 . . . . 0.0 110.145 -177.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.61 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.8 tp10 -49.38 -56.18 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.419 171.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 49' ' ' THR . 2.6 p -78.67 -15.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.311 -178.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.687 ' HB2' ' O ' ' A' ' 50' ' ' MET . 5.7 tt -49.21 -70.05 0.1 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.893 0.377 . . . . 0.0 110.121 169.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 36.8 p90 -70.57 -34.25 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -63.94 -59.32 4.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -175.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.686 HD21 HD11 ' A' ' 85' ' ' LEU . 1.3 tt -54.31 -33.19 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 174.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.57 -47.82 56.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.395 168.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.748 ' HB2' HG21 ' A' ' 41' ' ' VAL . 5.9 mm100 -57.42 -53.19 60.99 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-O 120.534 0.207 . . . . 0.0 111.024 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' HA ' ' OG1' ' A' ' 63' ' ' THR . 65.6 t80 -59.81 -42.48 93.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.164 -170.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.714 HG23 HG11 ' A' ' 75' ' ' VAL . 17.9 mt -53.95 -61.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.088 0.47 . . . . 0.0 110.639 173.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.1 mtp -51.95 -33.03 35.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.438 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.539 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 82.7 p -88.88 169.89 11.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.751 0.31 . . . . 0.0 111.117 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 66' ' ' LEU . 75.8 mmtt 56.44 21.26 5.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 37.64 55.1 1.5 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.926 172.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 66' ' ' LEU . 2.1 mm? -91.62 -20.73 21.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 170.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.7 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 43.5 p90 -69.56 177.78 2.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 -178.108 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -60.57 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.019 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 11.9 pt-20 176.7 -30.75 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.544 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 69' ' ' GLU . 62.9 mttp -126.95 -60.48 1.21 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.199 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -77.28 73.8 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.114 163.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -55.83 -17.38 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.178 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.673 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p80 -78.92 13.69 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 73' ' ' HIS . 8.8 mm -117.61 93.74 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.043 0.449 . . . . 0.0 110.545 168.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.714 HG11 HG23 ' A' ' 61' ' ' ILE . 2.2 t -96.49 94.44 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.43 -165.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.636 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.1 m-85 -68.8 122.53 18.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 177.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.608 ' HB3' ' OD1' ' A' ' 80' ' ' ASP . 62.7 m -123.4 -99.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -173.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 t 56.73 10.14 0.68 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.623 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -179.18 75.51 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.613 ' OD2' ' HB2' ' A' ' 82' ' ' LEU . 30.6 p-10 -179.47 167.07 1.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.528 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -61.78 -28.51 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.618 175.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 18.8 mt -70.09 -21.12 63.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 174.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -73.85 -28.93 63.91 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.749 168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.7 m-20 -66.73 -20.94 66.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.621 0.248 . . . . 0.0 110.802 171.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.782 HD21 ' HG ' ' A' ' 37' ' ' LEU . 3.7 mt -59.01 -69.38 0.2 Allowed 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.118 0.485 . . . . 0.0 110.392 171.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' HD1' ' H ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -124.33 -52.58 1.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.015 175.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.546 ' H ' ' HD1' ' A' ' 86' ' ' PHE . . . 118.17 32.08 1.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.541 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.857 HG21 ' HB3' ' A' ' 91' ' ' PHE . 18.8 m -83.24 153.71 66.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.652 0.263 . . . . 0.0 111.17 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.636 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.3 Cg_endo -76.27 -12.78 19.03 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.448 2.099 . . . . 0.0 111.858 167.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.664 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 48.6 p -173.7 138.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.373 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.857 ' HB3' HG21 ' A' ' 88' ' ' VAL . 37.8 p90 -135.01 147.51 49.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.019 0.438 . . . . 0.0 111.589 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.673 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 31.0 t -98.47 98.73 9.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.108 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.58 -23.03 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -63.48 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.852 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -74.58 -40.07 61.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' O ' HG22 ' A' ' 99' ' ' ILE . 69.6 m80 66.1 -76.34 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.498 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -46.38 -50.01 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 102' ' ' MET . 29.1 mtpp -71.75 -33.64 68.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.638 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.2 OUTLIER -72.41 -35.39 51.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.146 -173.019 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -86.91 -24.14 24.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.359 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 64.6 m -69.75 -35.31 74.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.11 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.638 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 20.1 ptt? -85.25 -25.74 27.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.095 178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.5 mt -61.64 -49.98 82.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 169.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HD2' ' O ' ' A' ' 100' ' ' TYR . 96.8 m-85 -92.0 99.81 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.99 123.65 50.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 55.8 33.74 22.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.531 ' H ' HD23 ' A' ' 107' ' ' LEU . 2.5 pt? -59.66 140.46 56.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.623 ' O ' HG12 ' A' ' 109' ' ' VAL . 91.8 t -80.29 -50.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.972 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 110' ' ' VAL . 1.1 p 52.68 177.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.772 175.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.673 ' H ' HG22 ' A' ' 109' ' ' VAL . 44.8 t -126.86 140.24 49.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.807 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.522 ' OD1' HG12 ' A' ' 110' ' ' VAL . 19.5 m120 56.19 79.78 0.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.481 ' CD ' ' H ' ' A' ' 112' ' ' GLN . 5.3 pm0 -102.42 145.99 28.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -92.8 14.78 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -119.99 130.75 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.1 p -79.33 121.24 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 m -87.41 157.75 19.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -135.91 19.8 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.2 t -142.09 -63.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.824 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.773 0.32 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.8 t 62.45 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -159.51 -22.68 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.913 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.0 t -67.32 147.63 52.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -141.39 -40.45 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.7 ttt 55.21 86.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -106.86 84.75 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 11' ' ' ASP . 29.6 m -135.36 136.7 24.78 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.54 -7.1 19.16 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.608 2.206 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.9 t -98.02 -35.15 10.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.212 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.598 ' H ' HG23 ' A' ' 8' ' ' VAL . 9.9 m-20 53.46 83.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.065 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.95 133.87 6.27 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.554 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.19 159.95 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 111.125 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.618 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -79.69 172.08 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.739 HG23 ' HA ' ' A' ' 109' ' ' VAL . 18.6 m -89.64 146.17 24.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 -178.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.667 HG23 ' HB3' ' A' ' 104' ' ' TYR . 91.4 m -148.64 148.47 30.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.893 0.378 . . . . 0.0 111.511 -171.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.705 ' H ' ' HB3' ' A' ' 104' ' ' TYR . 8.6 p -151.3 -160.25 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.777 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 17.0 pt20 -168.94 -145.67 0.05 Allowed 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 121.334 0.588 . . . . 0.0 110.954 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.678 ' O ' HG12 ' A' ' 19' ' ' ILE . 3.6 tt -179.07 59.14 0.11 Allowed Pre-proline 0 N--CA 1.436 -1.126 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.756 176.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' CG ' ' A' ' 18' ' ' GLN . 11.9 Cg_endo -54.94 -7.86 1.14 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 123.333 2.689 . . . . 0.0 112.892 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.4 10.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.226 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.466 ' HA ' HG13 ' A' ' 19' ' ' ILE . 37.7 t 62.07 10.98 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.589 -172.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -103.25 -7.7 20.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.607 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -132.13 82.01 1.99 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.152 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.907 ' HG3' ' HB2' ' A' ' 50' ' ' MET . 36.5 tt0 -94.33 -97.57 0.15 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.332 -161.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.879 HG22 ' HG2' ' A' ' 25' ' ' GLU . 4.4 t 169.14 172.36 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.314 0.578 . . . . 0.0 112.057 -161.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' H ' HG21 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -139.81 68.03 1.37 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.711 140.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.756 HG12 HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -83.02 149.34 4.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.827 -156.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' H ' HG21 ' A' ' 15' ' ' THR . 40.4 mtm180 -129.21 72.55 81.98 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.636 -172.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.752 ' HD3' HG22 ' A' ' 28' ' ' VAL . 60.6 Cg_endo -73.61 147.73 40.96 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.71 2.274 . . . . 0.0 112.628 -171.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -71.72 154.18 93.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.499 172.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 83.4 Cg_exo -48.25 92.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.687 2.258 . . . . 0.0 112.66 -175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 85' ' ' LEU . 8.0 tt -170.64 -12.61 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.151 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD11 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -128.23 -39.74 1.69 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -79.05 178.26 8.17 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.439 151.432 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 62.7 tttm 64.37 -31.76 0.13 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.97 -160.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.632 ' HA ' HD23 ' A' ' 81' ' ' LEU . 3.4 tt -77.53 -20.2 54.57 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 160.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 53' ' ' VAL . 50.1 mt -108.77 -28.71 9.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.87 176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.896 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 68.2 mttm -67.84 -4.37 12.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 175.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.2 t -103.25 -30.05 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.6 p -82.58 -27.25 8.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.332 -177.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.74 24.29 0.03 OUTLIER Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.331 -0.938 . . . . 0.0 113.214 171.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.896 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -76.0 177.52 7.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 111.377 176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' H ' ' H ' ' A' ' 45' ' ' LYS . 8.9 tt0 -167.19 -19.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.651 177.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' NZ ' ' HG3' ' A' ' 52' ' ' GLU . 49.0 mtmt -74.26 167.83 20.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.6 p-10 -101.19 -2.76 30.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' OD2' ' A' ' 46' ' ' ASP . 66.1 p -137.21 175.16 9.86 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 176.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 35' ' ' LEU . 55.0 m-85 -139.1 172.4 12.89 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-O 121.508 0.671 . . . . 0.0 111.594 173.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.646 ' O ' HG12 ' A' ' 53' ' ' VAL . 31.8 p -128.86 161.69 29.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.971 160.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.907 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 78.1 mmm -69.0 -18.83 64.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.796 -164.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -88.04 -35.27 17.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.0 0.428 . . . . 0.0 110.274 171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.3 OUTLIER -62.78 -39.9 95.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.609 176.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.832 HG23 HD11 ' A' ' 38' ' ' LEU . 7.6 p -89.19 -19.79 7.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.754 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 50' ' ' MET . 8.1 tt -50.69 -63.98 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.128 168.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.548 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -71.41 -36.08 71.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -177.36 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.708 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -64.46 -50.9 65.65 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.336 -176.065 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' O ' HG12 ' A' ' 61' ' ' ILE . 33.4 tp -55.88 -43.75 77.47 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.556 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -48.94 -43.91 31.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.231 170.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 18.8 mm-40 -57.28 -51.77 68.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.659 0.266 . . . . 0.0 110.837 179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.491 ' OH ' HD13 ' A' ' 81' ' ' LEU . 83.7 t80 -61.17 -41.25 96.46 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.523 -176.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.611 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.7 mm -56.02 -30.4 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 121.403 0.62 . . . . 0.0 109.83 176.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 63.1 mtt -78.06 -41.85 34.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.237 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 HG21 HG23 ' A' ' 41' ' ' VAL . 74.0 p -63.43 -62.73 1.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.497 -172.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.81 14.71 3.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.939 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 44.57 77.95 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.641 170.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' CYS . 3.3 mm? -106.04 -78.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.121 169.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.764 ' H ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER 64.48 173.51 0.19 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.495 0.664 . . . . 0.0 112.212 155.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.851 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 9.7 p-10 -106.62 -28.27 10.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.386 170.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 73.05 -23.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.441 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 68' ' ' ASP . 75.7 mmtt -66.05 -75.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.425 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 24.5 mt-30 -120.6 16.78 12.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.65 175.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HA ' ' OD1' ' A' ' 68' ' ' ASP . 14.8 mt-30 56.01 46.65 21.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.207 176.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 1.9 p80 -126.56 -30.81 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.341 177.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.851 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 12.2 mm -96.64 165.24 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 C-N-CA 120.969 -0.292 . . . . 0.0 110.508 174.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.777 ' O ' ' HA ' ' A' ' 90' ' ' SER . 27.2 t -142.11 82.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -174.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.73 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.0 m-85 -64.57 116.74 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 174.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.588 ' SG ' HD12 ' A' ' 82' ' ' LEU . 15.8 p -164.89 85.73 0.42 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.449 -172.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -86.72 21.63 2.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -175.38 78.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.738 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -147.87 167.08 25.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.025 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 37' ' ' LEU . 9.9 mp -61.34 -32.41 72.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.344 169.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' SG ' ' A' ' 77' ' ' CYS . 2.6 tm? -53.4 -37.62 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 166.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.592 ' HA2' ' H ' ' A' ' 87' ' ' GLY . . . -58.18 -36.87 84.45 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.314 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.84 -32.43 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.873 0.368 . . . . 0.0 110.48 172.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.72 HD23 HD23 ' A' ' 33' ' ' LEU . 67.0 mt -75.29 -75.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.832 171.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.478 ' CE2' HG23 ' A' ' 99' ' ' ILE . 13.4 m-30 -93.15 -45.47 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.385 -172.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.592 ' H ' ' HA2' ' A' ' 83' ' ' GLY . . . 76.09 19.93 78.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.251 -159.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.733 HG22 ' H ' ' A' ' 90' ' ' SER . 1.8 p -63.43 149.85 90.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.53 -0.335 . . . . 0.0 111.225 -171.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.55 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.6 Cg_endo -70.51 -15.36 34.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.12 1.88 . . . . 0.0 111.912 159.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.777 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 31.7 p 172.33 127.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.566 -169.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.69 ' HE1' HG13 ' A' ' 93' ' ' VAL . 2.7 p90 -127.66 149.18 50.31 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.494 -0.483 . . . . 0.0 111.353 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.756 ' O ' HD11 ' A' ' 99' ' ' ILE . 66.8 p -112.56 88.09 2.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.378 -167.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.69 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -48.18 -21.26 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.663 173.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.836 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 28.3 tptp -59.53 -14.67 13.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.08 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.55 -38.95 8.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.401 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.444 ' HE1' HD21 ' A' ' 54' ' ' LEU . 48.0 m-70 64.17 -74.73 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.101 -170.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' O ' ' A' ' 97' ' ' ARG . 5.5 tmm_? -43.87 -37.13 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.286 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.8 tppp? -72.92 -69.77 0.39 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.186 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.813 ' H ' HD12 ' A' ' 99' ' ' ILE . 2.1 mp -38.83 -37.5 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.613 173.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.512 ' OH ' ' HA ' ' A' ' 54' ' ' LEU . 10.5 m-30 -91.28 -19.73 22.67 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.993 -162.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 98' ' ' LYS . 12.8 t -90.94 -25.75 19.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.987 177.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.68 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 43.4 mtm -76.68 -32.76 58.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.298 175.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 99' ' ' ILE . 89.1 mt -70.66 -42.08 77.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.629 172.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.705 ' HB3' ' H ' ' A' ' 17' ' ' SER . 52.5 m-85 -117.14 104.46 11.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.76 179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -89.25 -85.45 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.423 -173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.576 ' O ' HG12 ' A' ' 108' ' ' VAL . 13.9 m120 -70.28 96.45 1.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.982 -174.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -49.83 113.96 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.267 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 106' ' ' ASN . 3.8 p -174.31 92.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.292 172.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.767 HG13 ' H ' ' A' ' 110' ' ' VAL . 1.3 p -110.56 -75.13 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.108 175.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.767 ' H ' HG13 ' A' ' 109' ' ' VAL . 57.8 t -85.66 142.0 13.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.998 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -55.14 -73.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.095 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.415 ' HG3' HG12 ' A' ' 110' ' ' VAL . 26.5 mt-30 56.29 71.91 0.53 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.991 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -137.04 -38.02 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -81.24 96.83 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.818 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.8 m -98.73 117.52 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -151.2 -15.21 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -86.43 165.66 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -148.04 113.06 5.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.047 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' A' ' 1' ' ' MET . 43.8 ttp . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 14.4 p 47.02 -164.67 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.448 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -145.42 38.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -76.31 135.43 39.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.087 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -135.61 -25.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -133.03 138.07 46.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.819 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -146.7 85.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.79 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.32 135.27 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 135.55 16.47 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.578 2.185 . . . . 0.0 112.309 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 m -65.88 -28.14 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.102 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -93.61 141.25 28.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.779 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.56 12.55 60.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.533 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.18 132.26 41.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 0.0 111.081 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -129.87 -67.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 15' ' ' THR . 4.0 m -121.05 28.5 7.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.743 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.7 m 64.69 -81.2 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.41 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -115.79 -178.37 3.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 24.3 tp60 -138.64 -44.82 0.49 Allowed 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.977 177.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.737 ' N ' ' HD2' ' A' ' 20' ' ' PRO . 32.4 pt -79.5 -26.57 0.47 Allowed Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.058 -0.974 . . . . 0.0 113.159 -159.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.737 ' HD2' ' N ' ' A' ' 19' ' ' ILE . 70.7 Cg_endo -74.91 24.69 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.454 2.103 . . . . 0.0 112.257 173.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 19' ' ' ILE . . . -73.77 -143.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' A' ' 25' ' ' GLU . 42.4 t -73.11 0.68 10.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.815 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 40.6 tt0 52.78 88.57 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 -174.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.573 ' HB2' ' HG3' ' A' ' 51' ' ' LYS . 64.9 tt0 63.33 143.44 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.583 -165.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.0 pt-20 -172.04 -40.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.029 0.442 . . . . 0.0 111.07 -171.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.622 HG21 HG23 ' A' ' 28' ' ' VAL . 8.6 t -87.7 -170.95 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.343 -163.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.588 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -141.51 82.67 1.83 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.442 144.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.622 HG23 HG21 ' A' ' 26' ' ' THR . 1.5 t -78.71 150.42 5.33 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.586 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.717 -155.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -124.57 78.21 62.99 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.016 -175.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.736 ' HB2' HD11 ' A' ' 35' ' ' LEU . 18.4 Cg_exo -67.09 125.28 13.35 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.866 2.377 . . . . 0.0 112.266 -176.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -64.23 147.3 97.04 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 171.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -44.8 96.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.729 2.286 . . . . 0.0 112.503 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD12 HD23 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -154.49 -35.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.727 -173.434 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.895 ' HB3' HD21 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.85 10.23 1.77 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 109.972 177.83 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.811 HD23 ' CE2' ' A' ' 48' ' ' TYR . 2.1 mp -95.16 -27.25 15.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -65.67 -9.9 31.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.796 156.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' HB2' ' A' ' 81' ' ' LEU . 5.5 tt -105.08 -20.14 13.61 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.199 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.619 HD23 ' CE1' ' A' ' 48' ' ' TYR . 1.1 tp -106.79 -50.25 3.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.047 -174.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 55.0 mtmt -57.48 -18.8 20.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.837 173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.0 m -83.27 -39.56 20.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.257 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.9 p -79.87 -30.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.447 -177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -163.42 -49.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.023 -179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.47 175.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.912 0.386 . . . . 0.0 111.536 -172.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -167.0 10.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.728 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -91.6 -164.76 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.749 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -104.98 -34.07 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.693 174.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 p -110.8 -179.89 3.87 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.421 0.629 . . . . 0.0 111.944 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.811 ' CE2' HD23 ' A' ' 35' ' ' LEU . 61.7 m-85 -149.86 -173.75 4.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.249 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -140.55 176.36 8.85 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.082 169.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.677 ' H ' HG22 ' A' ' 49' ' ' THR . 7.1 mtt -58.33 -48.37 80.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.598 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HG3' ' HB2' ' A' ' 24' ' ' GLN . 12.4 mmmm -81.1 -30.73 34.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.129 0.49 . . . . 0.0 110.436 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.6 tt0 -56.41 -51.24 69.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.451 174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 49' ' ' THR . 36.1 t -70.13 -24.53 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.922 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.672 ' HG ' ' HE2' ' A' ' 100' ' ' TYR . 10.3 tt -53.51 -70.65 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.71 177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 33.3 p90 -70.0 -32.26 70.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.185 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.609 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -66.55 -47.23 73.51 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.488 -175.815 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -58.84 -42.57 89.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 173.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.583 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -55.0 -32.06 56.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.283 172.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -66.17 -56.76 9.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.628 0.251 . . . . 0.0 110.701 177.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 37' ' ' LEU . 56.3 t80 -61.75 -28.87 69.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.441 -172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.782 HG23 HG21 ' A' ' 75' ' ' VAL . 15.5 mt -64.22 -67.01 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 110.605 171.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -54.88 -80.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.942 175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 47.3 m -54.75 150.3 9.9 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.629 173.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm 63.91 76.06 0.36 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.951 0.405 . . . . 0.0 109.958 -172.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -45.5 103.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.292 -164.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 80' ' ' ASP . 3.7 mp -115.29 -18.95 10.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.359 167.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.88 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 34.9 p90 -68.68 171.63 7.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.077 -173.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.557 ' HA ' ' CE2' ' A' ' 76' ' ' TYR . 10.7 t0 -55.31 -91.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.16 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 40.6 tt0 176.26 -31.92 0.0 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.793 0.33 . . . . 0.0 110.774 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.551 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -133.23 -44.71 0.84 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.48 -179.721 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.551 ' H ' ' HG2' ' A' ' 70' ' ' LYS . 25.0 mt-30 -90.2 74.35 7.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.866 161.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -57.03 -20.54 25.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.148 -171.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.6 p80 -74.4 5.97 4.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.448 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.4 mm -113.74 80.12 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 CA-C-O 121.158 0.504 . . . . 0.0 110.216 168.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.88 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -91.63 105.15 16.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.951 -171.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.76 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.8 m-85 -72.95 136.37 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.998 -177.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 24.7 p -156.22 70.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -94.29 -8.95 37.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.812 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -151.98 63.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.68 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 66' ' ' LEU . 14.3 m-20 -144.07 168.78 19.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.85 -176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HB2' HD12 ' A' ' 37' ' ' LEU . 86.4 mt -58.56 -39.79 81.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.437 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -63.57 -23.45 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.308 174.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -39.01 97.02 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.138 170.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 7.2 m-20 -55.66 -36.67 67.32 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.834 0.349 . . . . 0.0 110.423 173.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.895 HD21 ' HB3' ' A' ' 34' ' ' LEU . 93.9 mt -68.06 -79.1 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.101 0.477 . . . . 0.0 110.949 174.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.65 ' HB3' HG23 ' A' ' 88' ' ' VAL . 12.7 m-30 -93.43 -60.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.067 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 97.92 -10.67 64.19 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.583 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.5 t -49.15 144.09 8.39 Favored Pre-proline 0 N--CA 1.451 -0.402 0 CA-C-O 120.627 0.251 . . . . 0.0 111.398 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 11.6 Cg_endo -53.96 -27.82 46.69 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.356 2.037 . . . . 0.0 112.153 166.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.76 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 60.8 p -169.4 139.81 2.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CD1' HD11 ' A' ' 99' ' ' ILE . 50.2 p90 -129.03 148.83 51.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 175.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 23.8 p -96.32 122.77 39.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -91.85 -25.21 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.223 -173.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 73' ' ' HIS . 74.1 mmtt -56.51 -20.68 21.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 23.7 mt-10 -66.91 -68.91 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.749 ' HA ' HG22 ' A' ' 99' ' ' ILE . 15.6 m-70 72.77 -44.28 0.59 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.47 -176.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -58.54 -58.53 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.548 173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' MET . 68.2 mttm -79.69 -35.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.103 -178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.749 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -67.27 -32.95 59.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.046 -173.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.672 ' HE2' ' HG ' ' A' ' 54' ' ' LEU . 9.2 m-30 -89.51 -34.76 16.28 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.561 HG22 ' HA ' ' A' ' 98' ' ' LYS . 8.0 t -60.42 -23.58 64.5 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.646 178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 39.5 mtm -84.49 -40.39 17.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.563 169.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.582 HG12 ' O ' ' A' ' 99' ' ' ILE . 9.5 mm -48.07 -41.25 9.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.985 177.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -97.85 -81.22 0.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 58.46 -84.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -118.11 82.59 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.9 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 54.3 tp -127.2 150.29 49.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -76.6 76.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.279 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.87 142.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.999 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.8 t -96.06 130.71 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.055 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -133.95 162.22 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -114.55 127.06 55.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.994 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.429 ' OE1' ' HB3' ' A' ' 115' ' ' SER . 0.0 OUTLIER -65.06 99.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.616 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.91 101.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' A' ' 113' ' ' GLN . 80.3 p -125.72 -8.04 6.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.951 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.8 t -137.1 28.49 2.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.809 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 62.56 -83.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.209 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.8 m -150.61 -17.98 0.23 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.911 -179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.7 t -90.89 -23.21 20.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -86.55 -22.24 26.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -96.0 145.72 25.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -94.65 104.57 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -85.45 134.54 34.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.664 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 t 62.14 177.03 0.13 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.987 -178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t 58.22 85.03 0.2 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.65 150.81 50.67 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.749 2.299 . . . . 0.0 112.283 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -87.83 109.84 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 57.13 82.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.1 78.27 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.84 132.26 54.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.902 0.382 . . . . 0.0 111.159 -178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.4 t -86.1 -36.94 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.47 HG21 ' NE2' ' A' ' 18' ' ' GLN . 6.3 t -93.69 163.06 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.061 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 55.6 m -126.85 -31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.293 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -137.41 115.15 11.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.135 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 15' ' ' THR . 8.8 pt20 -170.44 -149.78 0.07 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.786 0.803 . . . . 0.0 111.224 175.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.71 HG13 ' HD2' ' A' ' 20' ' ' PRO . 2.0 tt -120.08 143.29 35.18 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-N 113.943 -1.48 . . . . 0.0 110.79 151.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.71 ' HD2' HG13 ' A' ' 19' ' ' ILE . 18.6 Cg_exo -66.66 120.39 7.5 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 123.512 2.808 . . . . 0.0 112.19 -172.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.27 100.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.004 -173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.644 ' OG ' HG23 ' A' ' 19' ' ' ILE . 94.9 p -179.19 -7.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 -173.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 2.6 pm0 -78.14 49.26 0.8 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.558 176.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 65.0 tt0 68.82 135.32 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.702 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.621 ' HG3' ' N ' ' A' ' 26' ' ' THR . 8.0 pt-20 -176.11 -50.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.207 -170.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.73 ' O ' ' HA ' ' A' ' 49' ' ' THR . 97.1 m -116.55 118.87 33.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.135 -163.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.78 HD13 HG23 ' A' ' 49' ' ' THR . 4.5 mm? -79.56 53.84 1.65 Allowed 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.766 0.793 . . . . 0.0 109.088 169.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.727 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -58.04 141.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.176 -179.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 53.9 mtm180 -136.65 73.83 53.9 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.637 -173.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.727 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.8 Cg_endo -86.73 172.03 6.83 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.871 2.381 . . . . 0.0 112.911 -167.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.622 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -61.1 163.7 9.75 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.62 174.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 19.3 Cg_endo -59.95 80.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.649 2.233 . . . . 0.0 112.638 -178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 ' C ' HD22 ' A' ' 34' ' ' LEU . 95.7 mt -151.56 -9.01 0.22 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.588 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 35' ' ' LEU . 3.8 mm? -131.15 1.2 4.21 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.911 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -128.45 151.5 49.31 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.927 172.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.656 ' H ' ' H ' ' A' ' 39' ' ' LYS . 63.1 tttp 65.83 -23.65 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.428 -158.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD13 ' O ' ' A' ' 37' ' ' LEU . 3.4 tm? -70.23 -22.66 62.88 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 152.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.916 HD21 HD22 ' A' ' 57' ' ' LEU . 39.6 mt -126.08 -32.28 2.77 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.328 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.911 ' HE3' ' HB2' ' A' ' 35' ' ' LEU . 10.2 mtmp? -72.51 -1.3 15.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.328 . . . . 0.0 110.748 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -99.63 -28.37 13.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.2 p -87.52 -33.01 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.325 -177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -179.63 -27.05 0.05 OUTLIER Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.027 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -67.44 159.81 28.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -175.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 pm0 -164.77 11.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.056 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -87.34 146.19 26.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.918 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.58 -11.0 59.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.86 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 31.6 p -134.01 173.03 12.02 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 176.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.789 ' CE1' HD12 ' A' ' 35' ' ' LEU . 52.4 m-85 -140.21 163.69 32.08 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.279 0.562 . . . . 0.0 111.75 176.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.78 HG23 HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -131.17 152.38 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.923 174.145 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 53.1 mtp -58.37 -15.93 12.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.479 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.653 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 63.2 tttp -91.69 -39.42 11.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.003 0.43 . . . . 0.0 110.164 176.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 11.8 tp10 -51.58 -62.23 1.75 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.128 167.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG13 HD23 ' A' ' 57' ' ' LEU . 46.3 t -55.67 -33.78 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.407 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 60.0 tp -47.68 -76.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.664 0.269 . . . . 0.0 110.862 176.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.567 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 38.1 p90 -69.55 -34.59 74.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.28 -174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.62 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -65.98 -52.06 52.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.425 -175.525 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.916 HD22 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.21 -45.23 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 176.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -48.4 -42.79 26.48 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.164 172.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 17.9 mm-40 -57.96 -69.42 0.18 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.751 0.31 . . . . 0.0 110.542 174.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' OH ' HD23 ' A' ' 81' ' ' LEU . 54.2 t80 -54.18 -32.21 54.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -167.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.777 HG23 HG11 ' A' ' 75' ' ' VAL . 50.9 mt -57.67 -70.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.966 0.412 . . . . 0.0 110.757 171.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptt? -86.1 26.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 48.1 m -111.2 -54.3 2.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.638 0.256 . . . . 0.0 111.385 174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -85.89 26.07 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.276 -171.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 56.64 47.47 18.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.008 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 80' ' ' ASP . 3.1 mm? -100.78 -16.9 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 173.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.812 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 45.2 p90 -71.76 177.5 4.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.525 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 13.1 t0 -63.84 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.3 tp10 174.38 -30.93 0.0 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.906 0.384 . . . . 0.0 110.561 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -120.85 -41.36 2.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.291 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -105.43 85.63 2.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.089 163.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' HG3' ' CD2' ' A' ' 67' ' ' TYR . 1.5 mp0 -55.21 -16.47 3.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.058 -173.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' O ' ' HA ' ' A' ' 92' ' ' SER . 19.3 p-80 -85.58 17.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.339 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 15.4 mm -119.23 93.15 2.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 166.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.812 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.3 t -93.81 95.95 5.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.439 -166.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 3.8 m-85 -67.87 113.71 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.948 175.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.526 ' SG ' HG12 ' A' ' 75' ' ' VAL . 63.8 m -139.31 73.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.9 t -92.51 -5.2 52.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.032 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.665 HD22 ' N ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -164.47 72.35 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.055 0.455 . . . . 0.0 111.1 -179.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' HB2' HD11 ' A' ' 66' ' ' LEU . 25.2 t70 -152.09 171.51 17.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.827 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.538 ' HB3' HD23 ' A' ' 37' ' ' LEU . 4.0 mm? -58.31 -40.99 83.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.887 0.375 . . . . 0.0 110.514 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.688 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -54.55 -31.46 56.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.276 171.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.71 -40.24 97.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.302 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.522 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -53.99 -30.35 46.82 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.777 0.322 . . . . 0.0 110.608 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD12 HD13 ' A' ' 82' ' ' LEU . 95.8 mt -76.12 -80.43 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.261 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.773 ' HB3' HG13 ' A' ' 88' ' ' VAL . 2.5 m-85 -84.3 -56.87 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.146 -171.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.6 -4.83 85.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.975 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.773 HG13 ' HB3' ' A' ' 86' ' ' PHE . 20.9 m -56.86 157.93 9.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.509 0.195 . . . . 0.0 111.167 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.681 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 60.3 Cg_endo -71.09 -30.47 16.21 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.324 2.016 . . . . 0.0 111.753 165.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.632 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.2 p -163.71 141.97 7.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.357 176.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.671 ' HB3' HG21 ' A' ' 88' ' ' VAL . 44.8 p90 -130.86 156.93 44.19 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.464 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 42.2 t -100.32 99.2 9.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.032 -175.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 73' ' ' HIS . 7.1 p -70.05 -16.96 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.859 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -52.08 -48.86 64.48 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.437 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.7 pt-20 -77.26 155.48 32.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.556 170.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -136.91 -26.38 1.05 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.17 -175.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.616 ' HA ' ' HB ' ' A' ' 19' ' ' ILE . 26.7 ptt180 -59.79 -62.05 2.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.721 174.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.615 ' O ' ' HG3' ' A' ' 102' ' ' MET . 28.8 tptp -77.66 -37.13 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.682 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -67.85 -28.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -172.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.1 m-30 -89.29 -28.01 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 175.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.8 m -60.18 -31.1 69.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.732 170.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.682 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 61.9 mtm -76.28 -41.6 48.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.583 173.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.579 HD13 ' HG ' ' A' ' 57' ' ' LEU . 20.6 mt -54.34 -44.44 66.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -91.65 82.9 5.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -91.37 -29.78 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.823 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.477 ' ND2' ' HE2' ' A' ' 31' ' ' LYS . 2.4 m-20 -80.38 124.42 28.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.835 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.6 tp -85.9 72.23 10.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.744 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 108' ' ' VAL . 5.5 p -147.68 117.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.075 178.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 31.6 m -144.31 174.72 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.213 -177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.48 ' H ' HG23 ' A' ' 26' ' ' THR . 57.4 t -129.72 90.21 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 178.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -90.67 138.44 31.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -97.72 130.64 44.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -87.64 0.3 55.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -92.27 127.18 37.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.797 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -155.4 -173.62 4.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.7 t 63.67 -82.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.084 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -91.76 179.97 5.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.96 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m -65.9 -70.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.852 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.849 -179.084 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.4 p -87.23 142.08 28.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -89.07 46.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.5 m -63.5 129.94 42.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.039 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -68.62 164.73 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.2 mtp -59.76 -76.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.067 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -167.5 -68.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.014 -179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.745 HG22 ' H ' ' A' ' 10' ' ' THR . 6.4 p -115.44 127.26 26.95 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.43 -6.07 16.05 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.555 2.17 . . . . 0.0 112.415 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.745 ' H ' HG22 ' A' ' 8' ' ' VAL . 3.7 m 60.9 19.72 10.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.115 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -66.91 168.73 9.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 -145.23 4.56 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 132.4 47.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.945 0.402 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -76.77 -34.09 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.125 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.0 t -101.83 142.95 32.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.985 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 76.8 p -121.15 152.39 38.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.245 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -139.75 0.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.83 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HA ' ' CG ' ' A' ' 96' ' ' HIS . 18.1 pt20 -158.27 -146.73 0.16 Allowed 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.504 0.669 . . . . 0.0 111.201 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.548 HG23 ' ND1' ' A' ' 96' ' ' HIS . 0.4 OUTLIER -143.26 154.18 60.54 Favored Pre-proline 0 N--CA 1.438 -1.034 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.582 164.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 23' ' ' GLU . 38.4 Cg_exo -60.24 126.73 20.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.825 2.35 . . . . 0.0 112.253 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.19 149.74 37.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.2 m 60.83 13.85 4.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 20' ' ' PRO . 14.0 mm-40 -110.01 -66.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 176.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -97.87 63.89 1.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.456 171.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' HB ' ' A' ' 26' ' ' THR . 35.0 tt0 -82.4 -66.79 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.31 -174.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB ' ' A' ' 109' ' ' VAL . 32.0 m 69.08 110.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -77.57 74.7 4.13 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 -179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.8 t -56.64 149.39 3.72 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 CA-C-N 114.561 -1.2 . . . . 0.0 111.646 -155.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 -126.35 125.87 24.6 Favored Pre-proline 0 N--CA 1.435 -1.221 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.013 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' HD21 ' A' ' 35' ' ' LEU . 11.9 Cg_exo -31.25 96.83 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 124.78 3.653 . . . . 0.0 114.05 -170.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -97.23 90.15 0.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.883 156.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 30' ' ' PRO . 88.8 Cg_exo -46.29 89.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.047 2.498 . . . . 0.0 113.258 -162.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' H ' HD12 ' A' ' 35' ' ' LEU . 34.7 mt -155.58 -22.97 0.11 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 2.4 mt -119.99 -9.39 9.65 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.234 0.54 . . . . 0.0 109.62 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.91 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.1 mp -96.61 -29.26 13.94 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.332 -171.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.1 -10.45 54.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.989 156.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.574 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 3.6 tt -107.86 -4.65 17.8 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.166 -178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -124.74 -56.22 1.59 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.213 -176.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HE3' ' HB3' ' A' ' 35' ' ' LEU . 95.9 mttt -52.97 -17.51 1.48 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 175.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.3 m -77.82 -52.22 9.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.123 175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 59' ' ' GLN . 1.1 p -67.44 -36.14 75.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.494 -174.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.95 23.58 0.02 OUTLIER Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.995 175.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -84.69 150.97 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.697 0.284 . . . . 0.0 110.922 176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -124.26 -58.23 1.55 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.569 -170.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -58.34 168.22 1.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.957 0.408 . . . . 0.0 111.151 -170.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -75.81 -41.11 53.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.696 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.1 p -102.05 -175.48 2.85 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.201 0.524 . . . . 0.0 111.417 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.91 ' HE2' HD23 ' A' ' 35' ' ' LEU . 66.3 m-85 -153.08 -173.91 4.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.884 -175.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.4 p -141.1 173.06 11.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.063 159.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 49.4 mtt -72.62 -9.81 59.04 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 32.4 mmmt -91.9 -47.6 7.22 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.071 0.462 . . . . 0.0 109.975 175.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.8 tp10 -44.53 -62.35 1.22 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.196 165.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 49' ' ' THR . 55.5 t -63.53 -28.71 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.339 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 50' ' ' MET . 7.1 tt -47.6 -67.94 0.23 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.422 176.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 16.6 p90 -80.77 -24.18 38.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.464 -176.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.639 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -70.81 -54.11 12.86 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.788 0.327 . . . . 0.0 111.253 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.681 ' O ' HG12 ' A' ' 61' ' ' ILE . 1.8 tt -51.8 -42.81 62.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.061 171.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.517 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -49.77 -48.4 36.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.215 169.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 63.1 mm-40 -52.41 -52.85 51.65 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.656 0.265 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.498 ' OH ' HD23 ' A' ' 81' ' ' LEU . 73.2 t80 -67.95 -39.48 83.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.468 -171.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.783 HG13 ' HZ ' ' A' ' 91' ' ' PHE . 7.4 mm -59.38 -21.69 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 121.385 0.612 . . . . 0.0 110.543 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 56.8 mtm -97.48 -19.72 18.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.016 175.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.7 m -70.75 -70.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.347 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -83.37 26.54 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.023 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 36.89 78.54 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.947 174.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD23 HD23 ' A' ' 82' ' ' LEU . 2.7 mp -102.51 -32.75 9.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.643 173.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.3 p90 -60.56 168.81 2.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.576 -170.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.535 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 7.1 t70 -63.42 -19.77 64.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -171.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 41.4 tt0 71.77 -15.21 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.434 175.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 52.2 mtmt -112.27 -24.35 9.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.723 0.296 . . . . 0.0 110.81 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.472 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 3.5 pt20 -144.25 7.01 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.798 174.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' HA ' ' HD2' ' A' ' 67' ' ' TYR . 27.7 mp0 66.22 -74.43 0.06 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.291 170.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -51.1 -18.25 0.81 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -163.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.2 mm -93.18 101.79 12.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.73 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.844 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 12.9 t -97.46 86.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.633 -167.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 9.5 m-30 -56.56 140.5 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.179 174.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.603 ' HB2' HD23 ' A' ' 82' ' ' LEU . 43.1 t -146.98 -91.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.275 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 57.05 9.77 0.69 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.456 -176.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 46.9 t30 179.56 79.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.05 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.566 ' CG ' HD21 ' A' ' 66' ' ' LEU . 10.8 t70 -173.67 175.25 2.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.922 178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.6 mm? -58.04 -39.28 78.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.573 171.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.667 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 tp -51.64 -39.03 57.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.266 167.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.44 -39.46 65.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.254 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 8.9 m-20 -62.07 -29.76 70.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.688 0.28 . . . . 0.0 111.145 175.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.667 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 43.0 mt -60.34 -69.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.028 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.867 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -111.71 -43.92 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.542 179.262 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.72 13.54 25.54 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.821 -165.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.9 m -65.4 148.06 98.25 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.292 . . . . 0.0 111.495 -175.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.678 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 97.6 Cg_endo -77.55 -9.33 17.3 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.484 2.123 . . . . 0.0 111.43 158.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 45.6 p -176.51 142.44 0.44 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.178 178.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.783 ' HZ ' HG13 ' A' ' 61' ' ' ILE . 5.7 p90 -131.39 148.32 52.65 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.445 172.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.647 ' O ' HG12 ' A' ' 93' ' ' VAL . 41.6 t -85.21 -27.98 25.73 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.783 -160.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 92' ' ' SER . 1.2 p 51.8 9.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.964 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -107.11 -45.89 4.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.654 -175.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.433 ' OE2' ' HB2' ' A' ' 98' ' ' LYS . 5.2 pt-20 -54.28 -41.15 68.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.741 172.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.643 ' O ' HG22 ' A' ' 99' ' ' ILE . 11.4 t-80 70.07 -71.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.755 168.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -49.24 -45.21 44.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.032 0.444 . . . . 0.0 110.522 175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 102' ' ' MET . 35.2 mmtp -77.86 -33.42 52.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.315 -177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.712 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.0 OUTLIER -69.61 -37.82 75.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -174.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.601 ' CD1' HG23 ' A' ' 99' ' ' ILE . 7.7 m-30 -85.27 -29.71 24.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.518 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.554 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.4 t -72.2 -25.04 61.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.582 0.229 . . . . 0.0 111.213 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.712 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 21.0 ptt? -90.09 -23.46 21.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.629 0.252 . . . . 0.0 110.972 176.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' ' 99' ' ' ILE . 57.2 mt -59.62 -59.14 4.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.091 167.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -81.53 118.03 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.169 -174.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -134.3 175.88 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.722 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 61.5 t30 63.91 157.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.041 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -88.19 80.14 7.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.44 -42.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.87 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.733 ' HB ' HG21 ' A' ' 26' ' ' THR . 31.3 m -66.13 162.58 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.11 178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.71 99.72 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.32 107.47 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.999 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.79 ' HG2' ' H ' ' A' ' 114' ' ' GLU . 9.7 tt0 65.83 144.32 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.198 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -79.72 -1.73 39.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.95 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.79 ' H ' ' HG2' ' A' ' 112' ' ' GLN . 12.9 mm-40 -109.96 161.29 15.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t 56.63 84.56 0.09 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.2 t -80.41 -19.8 45.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.819 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -155.14 -62.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.5 p -153.26 178.24 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.004 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.896 0.379 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.7 t -84.45 104.33 14.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.583 HD22 ' N ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER 57.17 33.86 23.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 178.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 t -76.15 -11.74 59.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -94.8 158.08 15.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.4 mtt -90.54 -175.87 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.8 t 61.24 98.83 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.97 100.21 16.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.61 171.56 17.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.602 2.201 . . . . 0.0 112.306 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.3 p -108.31 58.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 56.64 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.84 -81.75 1.17 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.83 172.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.943 0.401 . . . . 0.0 111.247 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.645 HG12 ' H ' ' A' ' 15' ' ' THR . 2.3 t -128.64 172.27 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.71 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.645 ' H ' HG12 ' A' ' 14' ' ' VAL . 58.9 m -115.88 93.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -178.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.7 p -133.15 -168.83 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.048 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' HH21 ' A' ' 97' ' ' ARG . 88.2 p 50.27 86.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.17 178.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' HB2' ' HD2' ' A' ' 20' ' ' PRO . 2.5 pt20 -150.05 -137.81 0.08 Allowed 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.233 0.54 . . . . 0.0 110.929 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.881 HG23 ' HD3' ' A' ' 20' ' ' PRO . 1.6 tt -174.91 -36.24 0.0 OUTLIER Pre-proline 0 N--CA 1.442 -0.834 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.346 170.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.881 ' HD3' HG23 ' A' ' 19' ' ' ILE . 51.7 Cg_exo -54.86 105.39 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.177 1.918 . . . . 0.0 112.198 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 51' ' ' LYS . . . 60.45 173.21 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.144 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.6 m 71.04 -69.31 0.19 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.279 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -48.2 -78.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.882 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -128.45 143.96 51.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.947 172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.675 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 27.6 tt0 -115.73 -82.35 0.62 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 -174.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.825 HG21 ' HA ' ' A' ' 109' ' ' VAL . 52.9 m 76.01 146.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.846 0.355 . . . . 0.0 111.164 173.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 HG22 ' A' ' 49' ' ' THR . 3.5 mm? -81.53 58.5 3.72 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.857 0.836 . . . . 0.0 108.784 161.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -64.59 141.79 17.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 113.914 -1.494 . . . . 0.0 110.262 -167.093 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' HG21 ' A' ' 108' ' ' VAL . 34.8 mtp180 -135.25 78.67 51.55 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.115 -175.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HA ' HG11 ' A' ' 108' ' ' VAL . 7.3 Cg_exo -75.1 64.99 6.17 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.03 2.487 . . . . 0.0 112.488 -162.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.3 mtpt 58.24 163.05 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.815 -175.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 31' ' ' LYS . 72.8 Cg_endo -75.53 52.28 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.326 2.017 . . . . 0.0 112.033 171.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.712 HD13 HD22 ' A' ' 85' ' ' LEU . 66.5 mt -47.29 -74.67 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' A' ' 36' ' ' LYS . 5.3 mp -143.92 -60.88 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.935 160.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.8 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.4 mp 63.03 -10.4 0.1 Allowed 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.534 -173.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 34' ' ' LEU . 36.8 mtmm -79.32 -8.4 59.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 121.47 0.652 . . . . 0.0 109.422 146.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.748 HD13 ' O ' ' A' ' 37' ' ' LEU . 1.7 tm? -76.05 -12.1 60.06 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.225 168.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.721 ' HB3' ' OH ' ' A' ' 48' ' ' TYR . 0.8 OUTLIER -131.63 -61.19 0.91 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.251 -171.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' HD3' ' O ' ' A' ' 45' ' ' LYS . 53.3 mtmt -48.38 -22.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 174.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.8 t -73.49 -50.9 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.003 174.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 ' HA ' ' A' ' 38' ' ' LEU . 7.6 p -71.9 -7.17 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -177.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.91 -45.99 0.24 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.237 -0.983 . . . . 0.0 113.413 172.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -59.92 179.43 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.081 0.467 . . . . 0.0 111.797 -168.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -173.54 68.32 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.451 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 22.5 mtpp -141.77 169.68 17.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.081 -171.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -91.01 -16.94 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 172.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.419 HG22 ' NE ' ' A' ' 29' ' ' ARG . 62.2 p -137.25 -177.33 4.72 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.663 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.8 ' CE1' HD23 ' A' ' 35' ' ' LEU . 42.4 m-85 -135.95 171.68 14.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.32 0.581 . . . . 0.0 111.412 171.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.558 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.8 p -125.45 151.11 46.66 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.246 172.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.675 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -42.45 -48.79 5.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.649 -166.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.807 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 21.5 ptmt -73.4 -44.97 57.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.226 0.536 . . . . 0.0 109.926 -174.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.606 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -51.78 -66.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.952 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 49' ' ' THR . 4.7 p -59.03 -33.97 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.721 -176.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 50' ' ' MET . 12.5 mt -60.42 -71.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.233 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.662 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 0.6 OUTLIER -68.37 -10.98 58.76 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.021 -176.001 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.636 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -80.2 -30.41 38.7 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.793 0.33 . . . . 0.0 110.959 173.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -67.86 -48.91 64.82 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 167.267 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.877 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -49.47 -38.92 28.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.261 171.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.662 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 21.8 mm-40 -53.36 -58.87 5.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.692 0.282 . . . . 0.0 110.499 173.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 37' ' ' LEU . 7.7 t80 -62.58 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.252 -172.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.877 HD12 ' HA2' ' A' ' 58' ' ' GLY . 12.9 mt -49.21 -61.0 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.011 0.434 . . . . 0.0 110.565 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 74.8 mtp -54.56 -27.67 40.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.036 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.839 HG22 ' HG2' ' A' ' 64' ' ' LYS . 28.4 m -89.02 159.97 17.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.839 ' HG2' HG22 ' A' ' 63' ' ' THR . 34.6 mmtp 58.28 19.56 6.39 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.465 173.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 43.8 59.15 3.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.69 169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HG ' ' OD2' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -101.61 -4.46 26.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 171.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 40.0 p90 -68.94 -168.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.749 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.9 t70 -83.68 -88.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.692 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 12.6 pt-20 175.57 -29.29 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.794 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -78.63 -76.23 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 -174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -112.77 14.4 19.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.906 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 18.5 mt-30 57.19 16.53 3.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.276 175.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 93' ' ' VAL . 36.2 m80 -87.85 -41.68 13.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.95 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.749 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 37.1 mm -77.73 146.33 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.67 HG11 HG23 ' A' ' 61' ' ' ILE . 3.4 t -139.28 89.5 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.85 0.357 . . . . 0.0 111.705 -168.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.6 m-85 -65.72 131.79 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.23 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 80' ' ' ASP . 19.2 p -168.99 78.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -84.13 -12.65 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -150.67 65.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 77' ' ' CYS . 25.2 t0 -130.43 169.13 15.92 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.037 -174.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 81' ' ' LEU . 6.2 mp -58.62 -38.63 78.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.125 169.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.909 HD11 HD11 ' A' ' 57' ' ' LEU . 3.9 mm? -61.04 -29.45 69.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.553 168.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -53.01 -43.05 61.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.224 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' HD11 ' A' ' 34' ' ' LEU . 2.1 m-20 -62.27 -38.49 89.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.651 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.712 HD22 HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -61.83 -75.76 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.108 0.48 . . . . 0.0 110.661 -179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HB3' HG13 ' A' ' 88' ' ' VAL . 15.6 m-85 -89.5 -63.76 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.107 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.06 -3.21 38.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.105 -170.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.811 HG21 ' HB3' ' A' ' 91' ' ' PHE . 20.2 m -69.43 149.08 97.25 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.597 0.236 . . . . 0.0 111.123 -179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.72 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 93.7 Cg_endo -77.37 -5.98 16.03 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.505 2.137 . . . . 0.0 111.953 167.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 32.9 p -179.42 137.21 0.13 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.083 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' HB3' HG21 ' A' ' 88' ' ' VAL . 27.1 p90 -138.14 152.25 48.53 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.776 175.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.4 t -99.66 101.27 12.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 73' ' ' HIS . 9.2 p -56.52 -30.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.26 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 94' ' ' LYS . 0.3 OUTLIER -61.6 -47.67 84.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.659 -178.014 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 99' ' ' ILE . 80.5 mm-40 -69.98 77.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.852 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -74.21 -20.53 60.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 -173.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' A' ' 17' ' ' SER . 24.7 mmt180 -57.0 -63.81 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.857 0.361 . . . . 0.0 110.623 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 102' ' ' MET . 8.1 mtpm? -73.46 -44.76 57.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.852 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -62.19 -34.05 61.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.719 ' HE2' ' HG3' ' A' ' 20' ' ' PRO . 14.9 m-30 -82.73 -34.06 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.126 177.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -58.17 -31.9 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 110.898 173.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.62 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 64.0 mtm -72.1 -45.8 59.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.488 174.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 60.7 mt -54.78 -36.53 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HE1' HD21 ' A' ' 54' ' ' LEU . 74.2 m-85 -111.66 -162.35 0.79 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 -175.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 61.89 79.14 0.26 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.986 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.465 ' C ' HD12 ' A' ' 107' ' ' LEU . 18.0 m120 -147.55 -85.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 106' ' ' ASN . 5.1 mp -142.33 27.34 1.74 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.772 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.924 HG13 HG23 ' A' ' 109' ' ' VAL . 4.1 p -147.44 -176.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.924 HG23 HG13 ' A' ' 108' ' ' VAL . 54.7 t 71.94 135.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.813 0.34 . . . . 0.0 111.131 -178.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.74 105.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -143.5 -49.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.15 -60.98 1.54 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.848 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -99.09 103.32 15.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -98.5 167.8 10.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.7 m -145.16 10.8 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.9 p -95.63 179.82 5.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 59.26 -175.9 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.157 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -141.29 120.6 13.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ptm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 24.9 p -132.35 59.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.411 ' OD1' HG23 ' A' ' 4' ' ' THR . 26.7 t-20 63.01 -81.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.024 -179.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OD1' ' A' ' 3' ' ' ASN . 77.2 p -83.89 165.75 18.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.069 178.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -147.61 103.28 3.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.3 mtt -92.74 76.45 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -164.67 -54.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -117.59 102.26 51.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.45 -30.3 87.63 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.1 t -163.9 141.56 7.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -140.27 102.54 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.91 -134.13 12.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.75 130.74 44.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 15' ' ' THR . 0.2 OUTLIER -66.22 157.86 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.158 0.504 . . . . 0.0 111.431 -179.38 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 61.2 m -104.12 102.21 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.034 -175.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -89.23 149.92 22.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.055 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -51.17 -65.8 0.49 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.926 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HG2' ' ND1' ' A' ' 96' ' ' HIS . 57.2 tp60 -148.29 -45.53 0.15 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 110.181 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.909 ' HB ' ' HD2' ' A' ' 20' ' ' PRO . 3.7 pt -73.18 179.97 1.01 Allowed Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.07 -158.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.909 ' HD2' ' HB ' ' A' ' 19' ' ' ILE . 50.3 Cg_endo -69.3 -139.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.954 1.769 . . . . 0.0 111.238 166.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HB2' ' A' ' 20' ' ' PRO . . . 53.6 -150.74 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.584 0.23 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.7 t -106.77 -92.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.733 0.301 . . . . 0.0 110.863 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -175.8 124.35 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.366 178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.696 ' O ' ' HG2' ' A' ' 25' ' ' GLU . 5.2 mm-40 62.72 -75.8 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.815 -174.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.696 ' HG2' ' O ' ' A' ' 24' ' ' GLN . 7.7 pt-20 60.86 -2.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 156.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.717 HG21 HG23 ' A' ' 28' ' ' VAL . 6.3 t -150.27 -175.67 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -170.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.771 ' H ' ' HB ' ' A' ' 110' ' ' VAL . 0.0 OUTLIER -142.68 83.46 1.81 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.258 148.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.717 HG23 HG21 ' A' ' 26' ' ' THR . 1.7 t -76.36 149.2 6.62 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.992 -153.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -137.99 90.36 14.04 Favored Pre-proline 0 N--CA 1.445 -0.703 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.506 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.58 168.75 9.72 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 123.028 2.486 . . . . 0.0 112.224 -168.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -55.49 118.13 17.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.174 170.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.97 90.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.686 2.257 . . . . 0.0 112.824 -169.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD13 HD22 ' A' ' 85' ' ' LEU . 54.9 mt -63.56 -71.54 0.17 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.33 170.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 HD23 ' A' ' 81' ' ' LEU . 5.3 mp -143.94 -61.01 0.39 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.08 164.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.761 HD23 ' CE1' ' A' ' 48' ' ' TYR . 5.3 mp 64.96 -14.12 0.11 Allowed 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.488 -175.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 34' ' ' LEU . 22.6 tptm -72.3 -7.99 52.47 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 147.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD11 HD22 ' A' ' 82' ' ' LEU . 5.8 tt -84.44 -9.02 58.76 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.845 173.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.676 ' HA ' HG12 ' A' ' 41' ' ' VAL . 71.9 mt -132.71 -53.77 0.94 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.453 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.6 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 53.3 mtmt -49.26 -19.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.112 174.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.4 m -78.36 -49.61 13.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.208 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.676 HG12 ' HA ' ' A' ' 38' ' ' LEU . 2.6 p -70.95 -20.63 21.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.372 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' HA3' ' HE1' ' A' ' 56' ' ' TYR . . . -175.76 -52.25 0.06 OUTLIER Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.291 -0.957 . . . . 0.0 113.296 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -54.21 164.72 0.61 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 111.603 -168.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.47 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 4.1 pt20 -158.29 1.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.549 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.627 ' H ' ' HD3' ' A' ' 45' ' ' LYS . 2.5 mppt? -79.6 174.64 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.721 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -87.52 -12.65 45.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.591 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.7 p -133.98 -175.99 4.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.281 0.562 . . . . 0.0 111.439 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.761 ' CE1' HD23 ' A' ' 35' ' ' LEU . 51.7 m-85 -138.37 -174.54 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.652 174.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.764 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -140.12 179.08 6.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 174.444 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.651 ' H ' HG22 ' A' ' 49' ' ' THR . 9.4 mmt -65.12 -46.85 79.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.306 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.582 ' H ' HE21 ' A' ' 24' ' ' GLN . 87.8 tttt -84.17 -30.94 25.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.051 0.453 . . . . 0.0 110.059 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.0 tp10 -48.63 -69.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.14 168.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 49' ' ' THR . 58.2 t -54.16 -31.4 21.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.633 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 53.4 tp -48.89 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.769 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.671 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 22.3 p90 -70.88 -30.08 66.35 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.095 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -67.01 -62.37 1.46 Allowed 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 111.684 -175.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -56.67 -34.97 67.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 178.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -51.71 -45.07 55.07 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.333 168.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.671 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.4 mm-40 -54.47 -59.38 4.77 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.703 0.287 . . . . 0.0 110.652 177.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.605 ' O ' HG22 ' A' ' 63' ' ' THR . 68.1 t80 -66.43 -38.93 88.51 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.625 -166.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.631 HG23 HG11 ' A' ' 75' ' ' VAL . 20.7 mt -51.9 -58.82 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.122 0.487 . . . . 0.0 110.206 173.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.65 -27.74 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.701 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -76.34 -31.5 58.14 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -167.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.5 mmpt? -99.21 12.53 35.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.031 0.443 . . . . 0.0 111.187 -175.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 81.8 mtm180 51.25 39.86 24.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.435 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.553 HD22 ' OD2' ' A' ' 80' ' ' ASP . 11.7 mt -92.27 6.45 46.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 176.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.781 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 47.8 p90 -94.0 171.35 8.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.919 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.598 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 33.3 t0 -68.1 136.57 53.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.79 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.16 -0.48 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -118.45 -75.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.635 178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.598 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 24.8 mt-30 -88.85 87.38 7.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.5 170.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -53.68 -19.2 3.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.216 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.614 ' O ' ' HA ' ' A' ' 92' ' ' SER . 6.3 p-80 -82.2 13.61 3.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.24 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 73' ' ' HIS . 25.5 mm -125.2 98.91 5.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.848 0.356 . . . . 0.0 110.522 169.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.781 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.4 t -90.02 95.11 5.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.512 -167.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.644 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.2 m-85 -67.11 91.8 0.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.773 171.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.501 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 26.9 p -103.35 -33.46 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.242 -173.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t 56.58 -88.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.425 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -130.32 38.46 3.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.553 ' OD2' HD22 ' A' ' 66' ' ' LEU . 80.3 m-20 -76.85 -173.11 2.53 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD23 HD22 ' A' ' 34' ' ' LEU . 6.0 mp -62.24 -38.56 89.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.105 169.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.95 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 4.1 mm? -59.94 -24.45 64.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.608 166.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 80' ' ' ASP . . . -57.92 -46.64 92.22 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.342 174.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 2.1 m-20 -56.46 -38.94 72.36 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.846 0.355 . . . . 0.0 110.5 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.95 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -55.27 -63.78 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.725 -177.23 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HE1' HD12 ' A' ' 82' ' ' LEU . 1.2 m-85 -104.74 -62.63 1.31 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.092 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.6 9.08 27.55 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.877 -166.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 91' ' ' PHE . 24.5 m -80.06 158.94 71.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.608 0.242 . . . . 0.0 111.223 -176.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.63 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.4 Cg_endo -75.25 -32.52 5.04 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.365 2.044 . . . . 0.0 111.741 163.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 55.9 p -155.05 142.21 19.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.401 176.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.747 ' HB3' HG21 ' A' ' 88' ' ' VAL . 40.8 p90 -133.32 144.14 49.46 Favored 'General case' 0 C--N 1.334 -0.1 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.58 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.614 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 61.1 m -92.9 106.96 18.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.044 -174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 73' ' ' HIS . 14.4 p -71.03 -30.18 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 178.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -55.29 -35.58 65.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.63 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -84.57 66.78 9.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.529 173.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.61 ' HA ' HG22 ' A' ' 99' ' ' ILE . 76.4 m80 -58.06 -31.98 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -173.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.855 ' HG3' ' HG3' ' A' ' 20' ' ' PRO . 70.5 ttt180 -55.71 -65.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 176.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 102' ' ' MET . 62.2 tttm -69.76 -33.65 72.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.251 -174.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -63.87 -30.25 49.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -175.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.633 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 10.4 m-30 -95.2 -13.68 24.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.354 173.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 88.3 m -69.3 -26.92 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.305 170.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.554 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 40.9 mtm -85.72 -37.91 18.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.446 172.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.628 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 18.8 mm -54.94 -43.79 70.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.029 176.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.461 ' HE1' HG11 ' A' ' 28' ' ' VAL . 88.7 m-85 -108.87 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.997 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -135.91 25.98 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.802 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 58.77 -172.87 0.1 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.994 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.5 tp 64.92 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.153 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 98.01 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.314 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.8 m -142.5 -169.48 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.995 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.771 ' HB ' ' H ' ' A' ' 27' ' ' LEU . 10.1 p -59.6 145.34 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.048 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -152.04 -55.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -107.5 90.51 3.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.001 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.701 ' HG3' ' H ' ' A' ' 116' ' ' SER . 7.5 tp60 -101.73 -54.42 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 56.15 65.27 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.8 t 54.82 41.71 31.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.701 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 37.4 t 61.47 174.02 0.12 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.133 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -112.68 42.42 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.8 p -131.21 121.42 24.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.913 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.814 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -81.13 -64.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -152.41 79.52 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.788 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 55.9 m 61.57 -83.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.324 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -94.26 145.74 24.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.988 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 ptp -92.72 144.8 24.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.858 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -115.58 -23.97 8.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.985 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -127.74 90.96 46.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.186 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.24 157.49 25.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.63 2.22 . . . . 0.0 112.191 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 m -88.46 95.5 10.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.19 177.16 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -129.63 76.48 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.53 131.68 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.997 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.92 -67.5 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.021 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.7 m -151.97 129.09 11.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.048 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 t -167.77 172.34 9.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -59.6 165.74 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.823 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.615 ' NE2' ' HD2' ' A' ' 97' ' ' ARG . 8.1 tt0 -149.2 -45.74 0.14 Allowed 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.22 0.534 . . . . 0.0 110.309 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -65.3 109.09 2.57 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.619 -157.27 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' A' ' 23' ' ' GLU . 84.3 Cg_endo -90.45 140.99 3.25 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.896 2.397 . . . . 0.0 112.489 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.22 155.52 40.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.7 m 65.52 4.15 2.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.256 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -86.9 -74.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.131 171.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.77 148.2 22.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.217 163.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 3.0 tt0 -177.39 100.04 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.545 0.688 . . . . 0.0 110.828 178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.626 HG21 ' H ' ' A' ' 110' ' ' VAL . 19.1 m -72.58 154.96 40.52 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.45 170.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 2.6 mm? -95.28 61.5 2.39 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 122.013 0.911 . . . . 0.0 109.048 155.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.845 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -79.98 130.08 36.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.618 -166.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 42.9 mtm180 -134.2 65.5 68.95 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.573 -169.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.845 ' HD3' HG22 ' A' ' 28' ' ' VAL . 93.3 Cg_endo -85.64 153.09 10.26 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.892 2.395 . . . . 0.0 112.829 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' HB2' ' HD2' ' A' ' 32' ' ' PRO . 22.1 pttp -61.16 160.78 20.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.412 169.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 2.4 Cg_endo -45.73 96.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.96 2.44 . . . . 0.0 112.478 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' HD23 ' A' ' 85' ' ' LEU . 39.9 tp -154.85 -21.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.816 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.732 ' HG ' HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -132.16 -12.57 3.2 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.17 0.51 . . . . 0.0 110.082 171.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.769 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -86.82 -33.92 19.7 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.904 -171.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 81' ' ' LEU . 58.2 tttp -60.26 -14.51 18.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.735 160.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD23 ' CD2' ' A' ' 38' ' ' LEU . 5.6 tt -102.27 -8.68 21.05 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.139 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.856 HD11 HG13 ' A' ' 53' ' ' VAL . 20.2 mt -125.66 -51.99 1.59 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.435 -175.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.537 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.8 mtmt -53.42 -15.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.896 0.379 . . . . 0.0 110.71 172.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.7 p -71.95 -57.41 4.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.779 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.698 HG11 ' HB2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -48.75 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.732 175.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -163.02 -14.32 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.952 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.6 169.31 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.707 0.289 . . . . 0.0 111.192 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -171.79 -21.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -58.01 164.72 2.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 111.195 -174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.17 -19.22 30.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.7 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.6 p -118.56 163.87 16.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.769 ' CE1' HD12 ' A' ' 35' ' ' LEU . 51.3 m-85 -136.28 173.63 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.417 174.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 26' ' ' THR . 73.1 p -141.66 154.62 45.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.548 176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.97 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 27.7 mtt -53.1 -24.41 10.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.206 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 64.1 pttt -89.99 -38.14 13.84 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.077 0.465 . . . . 0.0 110.536 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.63 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.4 tp10 -56.22 -50.86 70.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.309 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.856 HG13 HD11 ' A' ' 38' ' ' LEU . 21.7 t -74.15 -24.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.964 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 ' HA ' ' HE2' ' A' ' 100' ' ' TYR . 62.8 tp -49.34 -71.1 0.07 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.805 176.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.546 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 25.7 p90 -69.57 -37.48 76.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.83 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.762 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.15 -63.11 1.35 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.629 -175.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 9.8 tt -53.17 -34.75 58.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.122 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -53.97 -46.41 69.15 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.416 170.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.698 ' HB2' HG11 ' A' ' 41' ' ' VAL . 43.9 mm-40 -58.22 -50.84 72.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.538 176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -57.27 -35.19 69.46 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.846 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 75' ' ' VAL . 4.2 mm -63.11 -38.89 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-O 121.495 0.664 . . . . 0.0 110.227 173.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 66.7 mtt -67.43 -74.54 0.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.925 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.9 p -62.18 170.92 2.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.852 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 11.4 mmpt? 58.04 73.19 0.48 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.157 -177.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HG2' ' HE1' ' A' ' 67' ' ' TYR . 82.7 mtm180 -49.08 95.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.723 -170.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 75' ' ' VAL . 3.9 mm? -112.99 -15.7 12.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.421 166.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.772 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 17.5 p90 -62.35 160.65 12.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.824 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 1.5 t0 -48.19 -36.32 13.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.287 -169.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.525 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 40.1 tt0 68.54 -3.85 1.27 Allowed 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 -162.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.711 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 14.4 mmmm -94.36 -58.57 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.816 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -135.04 10.61 3.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.06 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.457 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 52.9 mt-30 64.47 160.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 176.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 92' ' ' SER . 70.3 m80 76.68 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.274 174.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 4.6 mm -85.88 77.16 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 110.23 166.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.772 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 0.9 OUTLIER -96.21 99.73 9.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.466 -172.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 90' ' ' SER . 85.8 m-85 -74.46 135.7 42.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.246 -172.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.8 p -132.42 66.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.19 -176.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.0 m -81.26 -8.15 59.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.65 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.448 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -160.59 14.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.742 178.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -83.11 163.48 20.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.787 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 36' ' ' LYS . 85.5 mt -61.84 -46.67 88.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.819 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.658 ' HG ' ' CZ ' ' A' ' 91' ' ' PHE . 0.2 OUTLIER -52.45 -31.3 34.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.105 0.478 . . . . 0.0 109.87 170.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.35 93.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.353 174.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -33.52 40.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.811 0.338 . . . . 0.0 110.439 173.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.732 HD21 ' HG ' ' A' ' 34' ' ' LEU . 89.1 mt -68.5 -78.02 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 172.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 21.8 m-30 -91.27 -60.97 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.263 -173.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.33 -5.96 52.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' CG1' ' HD2' ' A' ' 89' ' ' PRO . 1.1 t -45.11 150.82 0.73 Allowed Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-O 120.605 0.24 . . . . 0.0 111.564 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 4.4 Cg_endo -45.17 -46.4 13.65 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.392 2.061 . . . . 0.0 111.986 160.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 76' ' ' TYR . 92.0 p -144.09 159.27 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.489 -178.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.658 ' CZ ' ' HG ' ' A' ' 82' ' ' LEU . 42.9 p90 -141.93 142.85 33.05 Favored 'General case' 0 C--N 1.334 -0.093 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.285 163.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.543 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 63.9 p -94.71 95.01 8.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.824 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.592 ' HB ' HG21 ' A' ' 61' ' ' ILE . 9.8 p -57.5 -31.65 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.675 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -51.83 -30.63 24.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.683 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -88.18 58.16 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.658 174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.618 ' HB2' HD12 ' A' ' 19' ' ' ILE . 73.8 m80 -55.67 -31.35 62.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 -176.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' HD2' ' NE2' ' A' ' 18' ' ' GLN . 73.3 ttt180 -56.02 -63.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.696 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 102' ' ' MET . 23.7 tptm -73.72 -44.43 56.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.279 -176.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.656 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -53.62 -33.27 22.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.976 -175.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.716 ' HE2' ' HA ' ' A' ' 54' ' ' LEU . 6.6 m-30 -89.58 -27.5 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.409 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 80.2 m -64.19 -26.67 68.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.95 177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.656 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 11.2 ptt? -98.52 -21.93 16.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.323 178.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 100' ' ' TYR . 34.7 mt -64.12 -38.68 83.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-O 120.75 0.31 . . . . 0.0 110.914 166.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.487 ' HA ' HG11 ' A' ' 110' ' ' VAL . 95.9 m-85 -110.99 162.39 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.232 -174.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.489 ' H ' HG13 ' A' ' 110' ' ' VAL . 24.2 mmm180 -141.12 -59.65 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.901 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.644 ' HB3' ' HA ' ' A' ' 110' ' ' VAL . 14.1 t-20 -77.11 178.29 7.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.699 -177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD12 ' N ' ' A' ' 107' ' ' LEU . 6.6 mp -100.28 -69.54 0.77 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.785 0.326 . . . . 0.0 111.219 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.796 HG23 HG22 ' A' ' 109' ' ' VAL . 34.2 m -76.66 -29.22 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.456 -172.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.796 HG22 HG23 ' A' ' 108' ' ' VAL . 5.2 m -148.74 72.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.003 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.644 ' HA ' ' HB3' ' A' ' 106' ' ' ASN . 96.0 t -43.58 104.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.197 172.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -122.22 141.04 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.856 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -112.67 -25.5 9.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.461 ' HB3' ' HE3' ' A' ' 31' ' ' LYS . 24.3 tp60 -161.33 101.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.99 141.44 52.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.962 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.2 m -99.4 129.58 45.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.2 m -81.88 170.41 15.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 60.88 176.19 0.1 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.083 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -166.34 -21.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.803 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.863 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.5 m -129.17 176.41 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -139.73 106.06 5.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -135.5 -0.78 2.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -80.84 126.96 31.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 27.6 ttt 57.42 89.29 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.961 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.4 p -122.59 12.06 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.8 t -98.24 108.22 45.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.001 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.21 144.79 58.18 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.507 2.138 . . . . 0.0 112.28 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.1 m -142.86 -60.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -101.34 118.11 36.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.09 -178.65 16.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.489 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.64 -176.29 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.196 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.29 -70.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.9 m -110.99 106.06 15.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -178.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.7 p -137.36 93.15 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.152 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.45 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 46.9 t 63.44 165.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.151 178.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.866 ' HG3' HG23 ' A' ' 19' ' ' ILE . 3.0 pt20 -148.3 -46.02 0.15 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.232 177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.866 HG23 ' HG3' ' A' ' 18' ' ' GLN . 15.7 pt -80.9 105.81 4.49 Favored Pre-proline 0 N--CA 1.447 -0.613 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.355 -157.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 18' ' ' GLN . 86.5 Cg_endo -83.91 29.81 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.621 2.214 . . . . 0.0 112.753 -170.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 22' ' ' SER . . . 55.14 -163.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.068 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 49.0 m 75.47 -41.41 0.45 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.329 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.8 -65.75 0.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.467 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -120.53 114.58 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.758 171.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.68 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 35.5 tt0 -112.45 -81.72 0.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.108 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 28' ' ' VAL . 44.3 m 73.41 140.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 3.6 mm? -81.81 57.15 3.31 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.515 0.674 . . . . 0.0 109.31 163.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.522 ' N ' HG22 ' A' ' 26' ' ' THR . 0.2 OUTLIER -61.61 129.7 24.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.481 -171.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 16.6 ptt180 -156.84 58.22 1.55 Allowed Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.839 -169.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' A' ' 29' ' ' ARG . 9.9 Cg_endo -91.98 -169.55 0.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.143 2.562 . . . . 0.0 112.632 -167.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 56.0 mtpt -55.35 160.18 3.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.651 173.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.539 ' HA ' HD23 ' A' ' 35' ' ' LEU . 19.8 Cg_endo -58.16 84.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.532 2.154 . . . . 0.0 112.347 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 34' ' ' LEU . 95.6 mt -151.22 -13.95 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.575 -177.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 35' ' ' LEU . 15.8 mt -124.91 -6.08 7.37 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.788 ' H ' HD22 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -116.57 -24.17 7.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.4 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HB3' HD12 ' A' ' 81' ' ' LEU . 45.2 mmtm -66.49 -12.92 59.88 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 150.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -93.11 -44.7 8.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.515 175.096 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 0.0 OUTLIER -144.14 73.39 1.38 Allowed 'General case' 0 C--O 1.227 -0.117 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 35' ' ' LEU . 42.6 mttm -118.15 -0.21 11.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.819 145.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.1 m -93.27 -43.74 8.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.129 -176.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.854 HG11 ' HG3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -48.88 -58.47 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.058 0.456 . . . . 0.0 110.497 176.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.33 11.6 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.071 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 38' ' ' LEU . . . -84.35 152.58 23.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.804 0.335 . . . . 0.0 111.145 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -164.2 72.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.925 178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -138.82 150.04 45.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -13.78 62.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.995 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.491 HG22 ' HD3' ' A' ' 29' ' ' ARG . 44.3 p -142.24 176.15 9.21 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 111.172 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 35' ' ' LEU . 66.2 m-85 -146.93 163.47 36.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.502 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.0 p -127.62 155.58 43.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.371 169.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.68 ' HB2' ' HA ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -72.03 2.99 4.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.586 -166.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 96.1 mttt -93.46 -46.68 7.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 109.762 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 4.9 tp10 -46.82 -67.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.087 162.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG11 ' OH ' ' A' ' 104' ' ' TYR . 21.5 t -56.17 -31.27 31.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.432 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 50' ' ' MET . 3.3 tm? -45.8 -69.98 0.12 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 110.479 175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -81.84 -14.25 56.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.428 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 1.011 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -83.51 -59.01 2.58 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.636 0.255 . . . . 0.0 111.667 -178.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.651 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.7 tt -56.39 -37.2 69.8 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 172.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.544 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -57.88 -49.35 75.45 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.734 171.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.854 ' HG3' HG11 ' A' ' 41' ' ' VAL . 11.8 pt20 -71.71 -36.12 70.43 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 121.034 -0.266 . . . . 0.0 111.431 -172.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' HA ' HG22 ' A' ' 63' ' ' THR . 73.5 t80 -61.18 -40.17 92.91 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.393 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.737 HG23 HG11 ' A' ' 75' ' ' VAL . 39.5 mt -53.6 -66.12 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.046 0.451 . . . . 0.0 110.523 174.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 mtt -55.8 -40.35 72.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.831 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 60' ' ' TYR . 8.4 t -69.64 -31.53 69.68 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -166.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 10.7 mmpt? -88.77 16.26 7.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.931 0.396 . . . . 0.0 111.213 -172.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 51.42 34.47 12.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.486 174.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 77' ' ' CYS . 9.1 mt -94.47 -9.93 33.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.802 177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.713 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 36.2 p90 -68.4 -174.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.867 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 18.3 t70 -80.23 -91.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.9 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.1 tp10 177.14 -37.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.86 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -70.04 -71.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 -174.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.492 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 47.7 mt-30 -118.86 16.29 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.999 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 63.3 mt-30 54.42 22.43 3.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.044 178.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 38.8 p-80 -87.82 -27.44 22.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 -175.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.867 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 29.6 mm -93.02 151.65 3.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.515 171.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.737 HG11 HG23 ' A' ' 61' ' ' ILE . 1.7 t -139.52 92.09 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.279 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.627 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 39.1 m-85 -78.89 101.37 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 171.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.522 ' HA ' HD22 ' A' ' 66' ' ' LEU . 27.3 p -101.86 -19.35 15.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.261 -171.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.7 t 57.91 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -135.88 60.16 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.79 -179.82 4.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.8 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 HD12 ' HB3' ' A' ' 36' ' ' LYS . 3.9 mm? -59.92 -34.09 72.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.939 0.399 . . . . 0.0 110.25 168.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 ' HA ' ' HG ' ' A' ' 85' ' ' LEU . 45.1 mt -64.63 -20.09 66.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.662 170.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.16 -38.29 91.98 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.896 168.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -62.18 -22.5 65.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 172.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.773 ' HG ' ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -68.41 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.096 0.474 . . . . 0.0 111.041 177.07 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.607 ' HB2' HG13 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -90.47 -46.66 8.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.865 -171.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.37 10.7 40.9 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.768 -165.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 86' ' ' PHE . 35.0 m -83.18 153.83 66.47 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.786 0.327 . . . . 0.0 111.44 -175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.627 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 90.2 Cg_endo -77.67 -23.76 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.507 2.138 . . . . 0.0 111.704 159.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 68.1 p -150.91 147.43 27.19 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.481 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.567 ' O ' HG23 ' A' ' 75' ' ' VAL . 46.3 p90 -143.79 153.97 42.95 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-O 120.998 0.427 . . . . 0.0 111.44 168.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.7 p -106.23 103.17 12.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.093 -172.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.623 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.5 OUTLIER -68.32 -16.31 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 173.175 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.782 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 63.1 tttp -52.72 -35.65 56.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.66 176.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 98' ' ' LYS . 5.6 pt-20 -104.79 82.34 1.87 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 174.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.554 ' HB3' HD13 ' A' ' 19' ' ' ILE . 75.2 m80 -64.21 -29.32 70.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.301 -173.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 101' ' ' THR . 98.5 mtt180 -56.56 -60.61 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.864 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 102' ' ' MET . 4.9 ttmp? -71.63 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.191 -176.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.572 ' O ' HG13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -58.88 -36.69 62.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.86 0.362 . . . . 0.0 110.99 -174.341 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.559 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.4 m-30 -86.46 -30.64 21.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.679 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 37.7 p -66.51 -24.63 66.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.703 0.287 . . . . 0.0 111.084 177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.637 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 45.6 mtm -78.42 -46.51 19.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.459 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.62 HG23 HD13 ' A' ' 85' ' ' LEU . 77.3 mt -53.05 -35.83 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.437 ' OH ' HG11 ' A' ' 53' ' ' VAL . 80.2 m-85 -102.39 139.4 38.04 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.261 -177.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -140.78 145.94 37.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.544 174.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -58.12 98.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.3 tp -148.09 -66.71 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.0 t -106.37 -73.91 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.211 -177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.8 m 41.71 -161.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.84 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.89 139.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.092 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.491 ' H ' HH21 ' A' ' 29' ' ' ARG . 27.2 t-20 -92.32 140.71 29.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.994 -178.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -152.55 19.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -100.76 -30.81 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.53 128.35 35.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.1 t -159.63 76.69 0.67 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.3 t 61.02 174.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.075 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -154.61 103.59 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -151.18 -26.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.816 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.9 t -161.05 -65.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -105.97 8.0 32.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.0 p -87.08 -22.36 25.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -97.97 98.68 9.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.3 ttp -88.32 114.39 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 m -103.33 117.01 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.6 p -95.52 126.43 45.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 23.2 Cg_exo -65.24 -45.51 7.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.79 2.327 . . . . 0.0 112.425 -176.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.6 t -104.07 143.76 32.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.284 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.43 25.4 4.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.54 -120.75 0.91 Allowed Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.28 -176.47 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.101 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.68 -67.73 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.18 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.2 m -149.64 92.93 1.98 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.103 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.4 m -154.4 -77.41 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.97 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -170.29 -85.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.576 ' HG3' ' HB ' ' A' ' 19' ' ' ILE . 9.8 pt20 -174.35 -46.89 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 121.128 0.49 . . . . 0.0 110.274 175.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.638 HG13 ' O ' ' A' ' 19' ' ' ILE . 8.6 tp -125.31 45.47 1.39 Allowed Pre-proline 0 N--CA 1.445 -0.704 0 CA-C-N 115.04 -0.982 . . . . 0.0 112.035 -148.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 18' ' ' GLN . 10.8 Cg_endo -52.56 92.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.763 2.308 . . . . 0.0 112.492 174.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.46 -12.51 60.82 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.564 0.697 . . . . 0.0 110.533 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.89 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . 68.0 m -159.26 11.89 0.14 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.229 172.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 20' ' ' PRO . 9.6 tp10 52.48 75.23 0.24 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.684 -173.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 1.9 mp0 60.49 120.19 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -170.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.89 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 6.4 pt-20 -137.59 -49.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 112.058 -161.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.88 ' H ' ' HG2' ' A' ' 50' ' ' MET . 56.0 m -137.01 117.33 13.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.862 -150.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.944 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -78.83 76.24 5.33 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 164.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -86.63 136.05 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.675 -162.596 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -136.27 72.6 58.9 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.484 -170.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.699 ' HD3' HG22 ' A' ' 28' ' ' VAL . 90.7 Cg_endo -80.39 157.15 22.41 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.682 2.255 . . . . 0.0 112.667 -167.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -57.24 155.74 16.86 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.439 172.075 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -53.0 83.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.724 2.283 . . . . 0.0 112.691 -176.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LYS . 94.1 mt -149.45 -30.06 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.625 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 4.3 mm? -98.82 -27.19 14.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.826 175.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.33 -24.52 13.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.792 -163.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 81' ' ' LEU . 22.5 tptm -64.81 -13.33 55.34 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 156.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 82' ' ' LEU . 8.9 tt -103.19 -20.26 14.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.673 -178.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 56' ' ' TYR . 71.2 mt -114.04 -43.69 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.637 -172.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 55.2 mtmt -60.5 -10.37 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.357 . . . . 0.0 110.607 175.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.3 m -88.76 -39.55 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 38' ' ' LEU . 1.2 p -76.39 -34.9 25.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.439 -175.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.04 -50.47 0.02 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.147 -1.025 . . . . 0.0 113.164 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . . . -69.08 165.89 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 111.61 -168.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -146.08 20.94 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -93.72 -175.14 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.974 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.45 -10.65 14.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.949 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.8 p -136.01 168.36 19.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.984 0.421 . . . . 0.0 111.167 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.627 ' CD1' HD23 ' A' ' 35' ' ' LEU . 59.5 m-85 -136.07 -178.89 5.35 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.337 173.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.944 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -154.73 124.62 6.65 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.171 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.88 ' HG2' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 29.64 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.806 0.691 . . . . 0.0 112.381 159.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 62.2 tttm -83.91 -39.34 19.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.729 -171.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 7.3 tt0 -44.22 -61.51 1.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.543 172.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.7 HG23 HD11 ' A' ' 38' ' ' LEU . 3.2 p -69.97 -23.23 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.128 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 51' ' ' LYS . 7.2 tt -54.96 -70.0 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 26.8 p90 -69.85 -28.63 65.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.069 -178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.736 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -62.45 -52.03 65.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.285 -177.804 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.848 HD11 HD21 ' A' ' 82' ' ' LEU . 19.7 tp -59.28 -42.63 91.72 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.222 174.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.597 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -45.4 -41.77 9.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.108 170.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 50.7 mm-40 -58.63 -66.4 0.5 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.563 0.221 . . . . 0.0 110.559 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.425 ' O ' ' HB ' ' A' ' 63' ' ' THR . 56.1 t80 -53.25 -37.74 62.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 -169.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 82' ' ' LEU . 18.7 mt -55.43 -63.79 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.595 176.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 4.6 ppp? -77.71 9.69 3.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.614 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 60' ' ' TYR . 17.4 m -77.16 -58.71 3.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.625 0.25 . . . . 0.0 111.603 -178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 14.2 mmmm -85.31 -94.05 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 110.982 -168.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 64' ' ' LYS . 55.3 mtm180 -165.95 24.52 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 77' ' ' CYS . 9.2 mt -89.09 -4.84 58.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.06 -175.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.635 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 26.8 p90 -97.31 163.33 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.153 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 70' ' ' LYS . 13.4 t0 -66.33 -11.97 53.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.34 -169.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 28.4 mt-10 70.23 -11.09 0.61 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.401 176.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 68' ' ' ASP . 67.6 mttm -91.65 -61.09 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 178.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -116.3 4.81 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 70.2 mt-30 55.63 19.51 3.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.466 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.642 ' HA ' HG12 ' A' ' 93' ' ' VAL . 27.3 m-70 -105.3 -46.4 4.23 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.112 -178.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.7 mm -83.26 112.2 20.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.787 0.327 . . . . 0.0 110.477 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.688 ' O ' ' HA ' ' A' ' 90' ' ' SER . 4.6 t -106.14 92.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.455 -165.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.653 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.9 m-85 -72.21 94.99 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.533 172.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' HA ' ' HB3' ' A' ' 66' ' ' LEU . 64.0 m -82.55 -88.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -170.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.6 t 57.17 105.36 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.387 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 66.93 77.37 0.27 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -168.18 171.3 9.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.014 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.537 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 95.4 mt -62.63 -41.42 99.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.587 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.001 HD23 HD12 ' A' ' 85' ' ' LEU . 6.6 mt -55.26 -24.88 30.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.99 -40.37 88.82 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.261 174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.2 m-20 -56.5 -23.85 42.32 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.872 0.368 . . . . 0.0 110.541 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.001 HD12 HD23 ' A' ' 82' ' ' LEU . 31.2 mt -77.89 -83.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.381 176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.654 ' HB3' HG13 ' A' ' 88' ' ' VAL . 27.6 m-85 -85.33 -54.37 4.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.239 -168.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.82 -3.59 77.9 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.933 -169.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' HB3' ' A' ' 86' ' ' PHE . 32.7 m -59.51 157.55 25.58 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.634 0.254 . . . . 0.0 111.249 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.653 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.1 Cg_endo -73.04 -36.65 4.14 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.339 2.026 . . . . 0.0 111.666 162.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 57.6 p -152.16 143.99 23.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.564 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.644 ' O ' HG23 ' A' ' 75' ' ' VAL . 28.6 p90 -134.37 148.14 50.64 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.419 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.9 t -100.18 104.07 15.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.033 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 73' ' ' HIS . 11.5 p -65.13 -22.78 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.945 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -53.53 -53.65 48.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.28 76.07 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.728 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -62.19 -16.68 54.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.222 -175.818 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.453 ' HB2' HD11 ' A' ' 19' ' ' ILE . 18.5 tpp180 -64.01 -65.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.679 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.544 ' O ' ' HG3' ' A' ' 102' ' ' MET . 17.7 tppt? -69.32 -29.28 67.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.233 -176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -74.69 -30.18 24.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.945 -174.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.676 ' HA ' ' HB ' ' A' ' 103' ' ' ILE . 4.1 m-30 -98.72 -2.72 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.558 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 96.9 m -79.44 -31.16 42.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 110.462 167.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 47.0 mtm -77.71 -36.93 50.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.328 170.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.676 ' HB ' ' HA ' ' A' ' 100' ' ' TYR . 9.3 mm -55.67 -57.06 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.154 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.462 ' HE1' HG21 ' A' ' 28' ' ' VAL . 94.2 m-85 -91.22 100.26 13.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.799 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -95.01 -79.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -174.57 125.91 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.96 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 58.6 tp -170.23 -72.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.89 136.95 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 111' ' ' ASN . 28.4 m -142.32 -165.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.888 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.67 -31.85 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.604 ' H ' HG23 ' A' ' 109' ' ' VAL . 27.5 t-20 -106.64 -80.62 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.269 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.568 ' HG2' HG22 ' A' ' 109' ' ' VAL . 15.8 mm100 60.25 -84.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -147.67 140.18 24.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 115' ' ' SER . 9.1 tp10 -100.34 168.09 9.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.62 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 114' ' ' GLU . 47.1 t -50.93 148.08 4.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 110.999 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.0 p -62.94 157.91 20.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.988 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.23 84.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.5 p -162.7 177.81 9.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.878 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.9 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.957 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.1 mtp . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.4 m -94.08 -4.02 50.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.81 -82.36 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.044 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.6 p 48.48 57.22 6.47 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.326 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 58.69 -172.68 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.078 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 49.9 tpp -65.71 -69.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.3 m -147.76 16.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.2 t -97.36 106.58 33.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.024 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.89 96.72 0.53 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.446 2.097 . . . . 0.0 112.306 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 72.7 p -103.01 170.26 8.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 57.05 28.83 15.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.961 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.36 -99.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.543 179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.8 132.04 28.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 111.164 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -93.88 -62.66 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.1 m -112.06 109.79 19.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.7 p -81.6 132.23 35.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.5 p -153.73 11.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.739 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.582 ' O ' ' HG2' ' A' ' 97' ' ' ARG . 7.0 pt20 -163.85 -153.76 0.24 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 121.646 0.736 . . . . 0.0 110.975 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.471 HG21 ' CD2' ' A' ' 100' ' ' TYR . 5.7 tp -102.12 137.12 19.38 Favored Pre-proline 0 N--CA 1.442 -0.825 0 CA-C-N 113.767 -1.56 . . . . 0.0 110.26 142.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 7.2 Cg_exo -74.41 22.04 0.39 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.275 2.65 . . . . 0.0 112.15 -172.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . -147.38 107.11 3.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.699 176.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p -135.82 99.24 4.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.784 -173.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HG2' ' HA ' ' A' ' 51' ' ' LYS . 31.3 mt-10 55.45 10.4 0.48 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.298 -175.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.652 ' HA ' HE21 ' A' ' 24' ' ' GLN . 0.0 OUTLIER -148.54 103.43 3.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.678 179.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 26' ' ' THR . 7.9 pt-20 -176.71 -53.03 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -171.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.801 ' H ' ' HG2' ' A' ' 50' ' ' MET . 29.1 m -153.79 122.38 6.27 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -147.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.813 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -85.31 87.0 7.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 159.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -97.65 129.03 48.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.636 -161.398 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' HB ' ' A' ' 47' ' ' THR . 52.4 mtm180 -129.84 68.09 80.24 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.755 -167.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 28' ' ' VAL . 22.6 Cg_exo -66.17 141.98 65.47 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.805 2.337 . . . . 0.0 112.599 -171.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -69.07 154.02 95.47 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.224 168.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' HA ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -44.36 98.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.09 2.527 . . . . 0.0 112.488 -173.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD11 ' O ' ' A' ' 84' ' ' ASP . 28.4 tp -160.9 -46.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.754 -176.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 ' HB3' HD21 ' A' ' 85' ' ' LEU . 3.2 pp -119.18 3.67 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.801 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.3 OUTLIER -90.43 -36.08 14.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.234 178.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 81' ' ' LEU . 59.5 mtpt -57.59 -12.65 2.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.234 0.54 . . . . 0.0 109.896 160.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.871 HD11 HD22 ' A' ' 82' ' ' LEU . 8.7 tt -99.59 -22.96 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.799 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.673 ' O ' HG23 ' A' ' 41' ' ' VAL . 45.3 mt -111.79 -47.41 3.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 -176.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 43.4 mtmt -56.68 -12.46 1.85 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.57 170.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -79.41 -48.64 13.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 174.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -51.83 -40.86 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.123 0.487 . . . . 0.0 110.443 177.236 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.81 -16.13 0.25 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.944 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -57.28 160.99 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -172.02 76.48 0.05 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.667 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -135.56 170.48 15.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.915 -177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -86.24 -24.1 26.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 172.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.407 ' HB ' ' HG2' ' A' ' 29' ' ' ARG . 67.0 p -137.28 -175.53 4.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.965 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.801 ' CE1' HD12 ' A' ' 35' ' ' LEU . 48.0 m-85 -137.06 179.23 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.765 173.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.813 HG23 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.82 -154.76 0.57 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.46 -0.496 . . . . 0.0 111.699 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.812 ' HG3' HG22 ' A' ' 49' ' ' THR . 1.6 mtt -85.33 -42.78 14.28 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.974 -163.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 60.8 pttt -82.74 -34.7 27.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.184 0.516 . . . . 0.0 109.784 -178.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 3.6 tp10 -54.97 -69.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.494 172.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.7 t -55.29 -29.67 23.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 50' ' ' MET . 1.3 tm? -50.14 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.574 177.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.9 p90 -73.4 -36.2 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.963 -174.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.651 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -64.1 -50.46 68.21 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.733 -172.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD22 HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.97 -41.2 95.93 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.94 -32.43 41.69 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.217 169.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 8.8 mm100 -67.2 -67.18 0.47 Allowed 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.632 0.216 . . . . 0.0 110.618 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.505 ' CE1' HD12 ' A' ' 81' ' ' LEU . 69.1 t80 -55.63 -23.9 30.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.783 0.325 . . . . 0.0 111.132 -170.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.535 HG12 ' HZ ' ' A' ' 91' ' ' PHE . 32.4 mt -65.94 -68.79 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.664 169.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 27.2 ptm -77.5 21.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.465 179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 64' ' ' LYS . 22.9 m -144.15 159.51 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.525 177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' N ' HG22 ' A' ' 63' ' ' THR . 23.7 mmtp 56.44 43.91 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.65 0.262 . . . . 0.0 110.701 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.609 ' HG2' ' H ' ' A' ' 66' ' ' LEU . 19.3 ttm180 60.99 -152.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.198 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.666 HD11 ' CG ' ' A' ' 80' ' ' ASP . 3.2 mm? 68.37 77.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.689 0.28 . . . . 0.0 111.022 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.826 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 3.7 p90 177.02 -176.58 0.14 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.536 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HB3' ' O ' ' A' ' 71' ' ' GLN . 25.9 t0 -102.3 130.82 49.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.621 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.37 18.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -126.54 -65.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.994 0.426 . . . . 0.0 110.296 174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 68' ' ' ASP . 26.6 mt-30 -109.83 100.87 9.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.333 167.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -55.65 -15.02 2.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.575 ' HA ' HG23 ' A' ' 93' ' ' VAL . 84.5 m-70 -56.27 -42.17 77.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.724 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 23.5 mm -75.88 141.11 16.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.286 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.826 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 3.0 t -133.69 88.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.347 -170.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.668 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 6.9 m-85 -66.36 126.4 28.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.993 176.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.592 ' SG ' HD12 ' A' ' 66' ' ' LEU . 39.1 m -146.99 81.42 1.55 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.59 -173.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 t -47.62 -77.16 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.979 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.578 ' O ' ' HA3' ' A' ' 83' ' ' GLY . 77.9 m-20 -105.17 -90.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.194 169.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.666 ' CG ' HD11 ' A' ' 66' ' ' LEU . 7.9 m-20 61.11 166.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.237 0.541 . . . . 0.0 111.725 169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 89.6 mt -66.25 -42.46 88.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD22 HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.99 -25.44 29.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.012 0.434 . . . . 0.0 110.209 173.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.578 ' HA3' ' O ' ' A' ' 79' ' ' ASN . . . -73.03 -41.86 46.54 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.468 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 7.1 m-20 -53.08 -25.73 13.87 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.899 0.381 . . . . 0.0 110.255 172.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.688 HD21 ' HB3' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.78 -82.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.979 171.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' HZ ' HG13 ' A' ' 103' ' ' ILE . 5.8 m-30 -86.01 -71.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.093 -169.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.86 -5.76 16.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.31 -174.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 91' ' ' PHE . 33.3 m -60.82 152.97 66.77 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.672 0.272 . . . . 0.0 111.269 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.634 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 95.8 Cg_endo -77.47 -13.14 16.74 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.493 2.129 . . . . 0.0 111.807 164.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.668 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.9 p -172.97 142.38 1.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.648 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.612 ' CD1' HD11 ' A' ' 99' ' ' ILE . 43.3 p90 -136.65 157.69 46.19 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.862 0.363 . . . . 0.0 111.469 172.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.764 ' HB2' ' HG2' ' A' ' 94' ' ' LYS . 56.0 p -109.81 111.84 23.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.201 -175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.575 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -77.3 4.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.189 172.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.764 ' HG2' ' HB2' ' A' ' 92' ' ' SER . 22.1 pttp -86.42 9.69 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.768 177.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' HIS . 10.7 mm-40 -116.25 -55.98 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -177.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 66.9 m-70 73.02 -29.77 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.564 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 80.3 mtm180 -62.92 -73.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.044 0.45 . . . . 0.0 110.655 177.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.3 mttt -69.08 -30.57 68.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.671 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.4 OUTLIER -69.4 -32.02 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.098 -172.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.508 ' CD1' HD12 ' A' ' 103' ' ' ILE . 6.0 m-30 -88.1 -29.4 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.409 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -65.22 -26.91 68.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.965 176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.671 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 54.6 mtm -83.29 -40.46 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 174.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.7 mt -56.16 -37.48 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.478 ' HD1' HG11 ' A' ' 109' ' ' VAL . 98.9 m-85 -105.72 128.15 53.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.898 0.38 . . . . 0.0 111.129 -177.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' O ' ' HB ' ' A' ' 109' ' ' VAL . 39.1 ttm180 -96.05 154.39 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.862 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -97.4 80.28 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 107' ' ' LEU . 6.8 tt -158.36 -72.99 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.632 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.9 p -98.99 -25.11 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 HG21 ' A' ' 26' ' ' THR . 36.3 t -77.53 151.05 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.898 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.423 HG23 HG12 ' A' ' 109' ' ' VAL . 16.4 t 55.49 106.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.63 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -120.69 132.86 55.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.835 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -154.93 -5.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.53 ' HG3' ' H ' ' A' ' 115' ' ' SER . 8.5 tp-100 -89.12 134.48 34.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -108.47 32.9 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 -178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.53 ' H ' ' HG3' ' A' ' 113' ' ' GLN . 88.0 p -89.3 11.75 18.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.3 m -145.92 6.38 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -144.94 23.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.1 t -72.0 141.1 49.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 67.8 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.91 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.9 mtp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.7 m -90.29 129.5 36.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 57.12 24.89 10.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p 48.16 34.04 4.09 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.433 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 60.4 100.02 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.072 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.6 mmm 65.53 125.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -88.92 -30.67 18.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.047 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.44 73.64 55.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.368 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.79 -55.06 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.791 2.328 . . . . 0.0 112.129 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 t -149.87 150.57 32.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -142.06 141.41 32.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.92 -18.42 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.374 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.02 131.91 13.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 111.126 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.7 t -107.69 -59.34 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.0 m -147.73 108.48 4.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.072 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.6 p -107.49 5.39 27.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 97' ' ' ARG . 79.6 p -153.01 143.76 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -147.34 -41.99 0.18 Allowed 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.119 0.485 . . . . 0.0 110.342 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.554 ' O ' HD12 ' A' ' 19' ' ' ILE . 1.5 pp -82.86 117.17 67.71 Favored Pre-proline 0 N--CA 1.448 -0.528 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.0 -153.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.645 ' HG2' ' H ' ' A' ' 23' ' ' GLU . 94.9 Cg_endo -85.17 32.19 0.48 Allowed 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.838 2.359 . . . . 0.0 111.9 170.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.57 38.33 15.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.035 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.505 ' HA ' ' OE1' ' A' ' 25' ' ' GLU . 40.4 t 63.38 64.38 0.82 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.887 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.645 ' H ' ' HG2' ' A' ' 20' ' ' PRO . 45.8 mt-10 -130.19 -19.54 3.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.168 177.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -166.96 104.68 0.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.958 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.582 ' HG3' ' SD ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -174.63 -49.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.997 -170.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.853 HG21 ' H ' ' A' ' 50' ' ' MET . 1.8 t -116.02 -105.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -145.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' H ' HG23 ' A' ' 26' ' ' THR . 0.1 OUTLIER 29.24 73.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.195 -136.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG22 ' HD3' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -79.45 132.26 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.321 -179.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' CG ' HD12 ' A' ' 27' ' ' LEU . 51.5 mtp180 -140.23 63.65 23.72 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.707 -168.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.749 ' HD3' HG22 ' A' ' 28' ' ' VAL . 82.9 Cg_endo -93.79 163.97 2.23 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.107 2.538 . . . . 0.0 112.937 -170.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' H ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.03 162.96 33.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.407 170.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 31' ' ' LYS . 81.2 Cg_exo -40.94 99.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.766 2.311 . . . . 0.0 112.805 -179.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 85' ' ' LEU . 1.3 tm? -173.71 -37.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.271 -176.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.596 ' C ' HD13 ' A' ' 35' ' ' LEU . 4.5 mm? -100.75 -12.71 18.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.772 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.742 HD12 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -106.85 -38.17 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.282 -171.161 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -55.29 -12.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.303 0.573 . . . . 0.0 109.553 160.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.902 HD21 HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -89.43 -55.42 3.66 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.156 176.597 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.898 HD23 HD12 ' A' ' 37' ' ' LEU . 25.5 mt -88.89 -41.33 12.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.487 -169.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.646 ' HE2' ' HB2' ' A' ' 35' ' ' LEU . 45.7 mtmt -59.79 -11.52 5.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 176.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -76.04 -46.48 29.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.988 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.19 -47.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.397 . . . . 0.0 110.67 178.149 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 44' ' ' GLN . . . 170.96 -16.35 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.362 -176.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -53.3 144.67 15.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 111.196 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 42' ' ' GLY . 49.7 mt-30 -147.2 60.6 1.17 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.046 -178.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -139.86 163.5 32.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.896 0.379 . . . . 0.0 110.913 177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.5 p-10 -95.35 -10.01 31.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.806 177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 27' ' ' LEU . 41.3 p -133.73 144.24 48.97 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.054 177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 35' ' ' LEU . 81.0 m-85 -130.93 177.43 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.523 -176.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.695 HG23 HD22 ' A' ' 27' ' ' LEU . 2.7 p -148.15 163.99 35.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.807 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.853 ' H ' HG21 ' A' ' 26' ' ' THR . 43.5 mtp -70.66 1.12 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.514 -172.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.524 ' HG3' ' H ' ' A' ' 52' ' ' GLU . 51.9 pttt -92.36 -50.53 5.6 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.06 0.457 . . . . 0.0 110.011 173.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HG3' ' HD2' ' A' ' 56' ' ' TYR . 2.9 tp10 -48.87 -69.9 0.11 Allowed 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.8 163.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 HD11 ' A' ' 38' ' ' LEU . 54.0 t -46.81 -36.7 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.742 178.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.7 ' HB2' ' O ' ' A' ' 50' ' ' MET . 6.4 tt -46.29 -74.16 0.04 OUTLIER 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 8.2 p90 -81.96 -16.1 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.41 -174.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.77 ' HD2' ' HG3' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -83.08 -60.12 2.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.687 0.28 . . . . 0.0 111.256 -176.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.585 ' O ' HG13 ' A' ' 61' ' ' ILE . 11.1 tp -57.09 -32.29 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 171.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.06 -44.16 56.44 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.131 167.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 65.2 mm-40 -55.82 -68.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.622 0.211 . . . . 0.0 110.62 174.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.694 ' HA ' HG22 ' A' ' 63' ' ' THR . 26.4 t80 -49.42 -36.42 22.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.183 -166.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.719 HG23 HG21 ' A' ' 75' ' ' VAL . 14.5 mt -60.37 -63.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.845 0.355 . . . . 0.0 110.611 173.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.594 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 26.5 ptm -97.94 41.61 1.12 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.77 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.694 HG22 ' HA ' ' A' ' 60' ' ' TYR . 1.7 t -143.56 -23.89 0.59 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 170.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 63' ' ' THR . 70.0 mmtt -111.97 37.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.959 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 98.9 mtt180 60.37 -159.42 0.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.931 HD12 ' HA ' ' A' ' 77' ' ' CYS . 3.5 mm? 74.68 -14.68 0.7 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.484 ' CD2' ' HG2' ' A' ' 72' ' ' GLN . 2.8 p90 -64.98 -173.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.711 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 40.6 p30 -78.03 -143.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.261 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -160.94 32.7 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.907 0.384 . . . . 0.0 110.769 163.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.682 ' HG3' ' HG2' ' A' ' 71' ' ' GLN . 19.0 ptpt -120.48 -36.31 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.795 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.682 ' HG2' ' HG3' ' A' ' 70' ' ' LYS . 26.6 pt20 -164.63 19.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.565 HE21 ' HB2' ' A' ' 62' ' ' MET . 9.9 mt-30 52.31 30.64 8.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.961 -179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.641 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . 32.4 m80 -106.64 -19.23 13.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.433 176.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 68' ' ' ASP . 9.8 mm -98.21 167.73 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 163.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.719 HG21 HG23 ' A' ' 61' ' ' ILE . 1.3 p -162.23 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.226 0.536 . . . . 0.0 111.201 -178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 8.5 m-85 -86.58 105.99 17.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.606 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.931 ' HA ' HD12 ' A' ' 66' ' ' LEU . 25.3 p -116.44 63.64 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.333 -166.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.7 m -69.9 112.71 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.664 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 61.59 71.21 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.001 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -138.8 165.13 27.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' HA ' ' OD2' ' A' ' 84' ' ' ASP . 7.5 mp -63.92 -39.54 94.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 110.399 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.902 HD22 HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -51.77 -28.63 15.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.944 168.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -70.25 -37.75 71.45 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.498 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.472 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 13.5 m-20 -51.06 -31.77 19.79 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.952 0.406 . . . . 0.0 110.163 173.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.882 HD12 HD13 ' A' ' 82' ' ' LEU . 85.0 mt -67.6 -78.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.165 172.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -84.26 -62.66 1.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.152 -169.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 106.46 -8.95 41.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.985 -169.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.2 m -62.93 152.81 82.39 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 0.0 111.222 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.476 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 99.0 Cg_endo -76.98 -18.48 14.6 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.539 2.16 . . . . 0.0 111.631 161.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.67 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 56.2 p -159.66 142.58 13.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.624 ' HB3' HG21 ' A' ' 88' ' ' VAL . 32.7 p90 -145.8 170.92 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.16 168.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 99' ' ' ILE . 68.4 m -127.4 122.58 34.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.402 -170.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -82.55 -6.38 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.276 174.245 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -65.91 -13.08 59.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.752 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' OE1' ' HE3' ' A' ' 98' ' ' LYS . 4.6 pt-20 -136.1 88.16 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.888 ' HA ' HG22 ' A' ' 99' ' ' ILE . 40.4 m80 -74.43 -12.08 60.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.227 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.64 ' HB3' ' HA ' ' A' ' 17' ' ' SER . 99.2 mtt180 -59.27 -68.62 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.444 174.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 102' ' ' MET . 27.7 ttpp -76.1 -37.26 58.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.888 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -63.53 -35.86 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.862 0.363 . . . . 0.0 110.985 -174.112 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.539 ' HD2' HG21 ' A' ' 19' ' ' ILE . 12.7 m-30 -81.71 -29.04 33.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.0 m -61.77 -37.76 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.098 172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.72 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 63.6 mtm -66.4 -44.19 83.72 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 110.511 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 99' ' ' ILE . 71.5 mt -53.01 -43.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.12 -178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 50' ' ' MET . 73.0 m-85 -109.73 114.3 27.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.284 -173.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -93.23 -168.24 1.88 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -85.3 9.67 14.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 107' ' ' LEU . 3.5 mm? -111.28 126.9 55.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.942 -178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 39.2 t 55.96 75.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.14 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.703 HG23 ' H ' ' A' ' 111' ' ' ASN . 21.8 m -144.8 -164.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -61.34 -18.99 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.227 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.703 ' H ' HG23 ' A' ' 109' ' ' VAL . 0.1 OUTLIER -54.07 158.31 2.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -176.111 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -148.29 136.65 21.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -162.75 10.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -99.5 107.82 20.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -100.83 30.51 3.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -136.24 -24.36 1.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -98.83 153.95 18.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.89 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p 48.39 80.95 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.993 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.741 0.305 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.6 m -139.39 129.03 24.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -93.49 13.0 23.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.6 m -106.29 139.22 41.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 58.27 89.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.6 mtp -76.0 -56.72 4.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.2 p -129.08 -37.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.8 m -135.19 134.44 21.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.07 73.64 5.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.559 2.173 . . . . 0.0 112.341 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.7 m -154.17 -65.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -137.98 143.92 40.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.54 -25.67 6.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.448 -179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.54 132.22 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.832 0.348 . . . . 0.0 111.068 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -135.94 -45.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.1 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.8 t -86.68 -15.95 38.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.224 -178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 56.6 m -83.18 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.019 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -109.1 177.12 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -145.53 -42.97 0.22 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.141 0.496 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.518 HG21 ' HD2' ' A' ' 100' ' ' TYR . 0.7 OUTLIER -74.52 159.37 83.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.7 -157.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.748 ' HG2' ' HB ' ' A' ' 101' ' ' THR . 31.3 Cg_exo -59.12 80.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.546 2.164 . . . . 0.0 112.397 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.65 -170.68 0.21 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.9 t -120.0 43.72 2.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.813 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 53.35 88.37 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' MET . 28.8 tt0 63.67 152.67 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.818 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.573 ' HG3' ' OG1' ' A' ' 26' ' ' THR . 10.6 pt-20 -173.66 -6.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.321 -172.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.658 HG21 ' HB ' ' A' ' 28' ' ' VAL . 5.4 m -136.61 175.82 9.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.247 -163.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' N ' HG22 ' A' ' 26' ' ' THR . 0.1 OUTLIER -130.01 78.77 1.87 Allowed 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 143.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -80.98 153.23 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.084 -156.193 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' HG2' ' CG2' ' A' ' 47' ' ' THR . 74.3 mtm180 -131.43 85.84 51.79 Favored Pre-proline 0 N--CA 1.445 -0.712 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.601 ' HG2' HD11 ' A' ' 35' ' ' LEU . 89.6 Cg_endo -81.86 140.43 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.541 2.161 . . . . 0.0 112.447 -175.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 107' ' ' LEU . 19.0 ptpt -57.57 152.71 33.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.463 173.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.72 93.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.773 2.315 . . . . 0.0 112.439 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.494 HD11 ' O ' ' A' ' 84' ' ' ASP . 32.7 tp -158.09 -31.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.713 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.675 ' HB3' HD21 ' A' ' 85' ' ' LEU . 4.3 pp -116.39 11.38 14.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.216 0.531 . . . . 0.0 109.835 171.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.736 ' HB3' ' HE2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -122.68 141.42 51.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.698 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 27.8 tptp 69.88 -15.49 0.32 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.098 -149.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 2.1 tm? -71.05 -51.71 23.7 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.423 152.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.914 HD22 ' HB3' ' A' ' 56' ' ' TYR . 66.1 mt -92.74 -33.03 14.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 58.5 mttm -63.76 -16.36 60.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.205 172.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 44.0 t -68.59 -56.73 7.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.032 173.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.76 -67.2 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.807 -179.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 172.4 17.02 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.186 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.95 -76.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 177.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.16 68.65 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -131.79 -161.74 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.891 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.445 ' OD2' HG23 ' A' ' 47' ' ' THR . 4.1 p-10 -96.91 -33.15 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.879 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 ' CG2' ' HG2' ' A' ' 29' ' ' ARG . 66.3 p -142.68 -172.17 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.645 ' CE2' HD23 ' A' ' 35' ' ' LEU . 68.7 m-85 -143.12 -176.9 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.014 178.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 50' ' ' MET . 2.3 m -145.2 170.44 16.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.668 176.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.603 ' H ' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -47.35 -50.53 21.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.796 175.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 61.9 tttm -81.19 -34.53 32.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.24 0.543 . . . . 0.0 110.244 -172.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.636 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.7 tp10 -54.6 -66.0 0.48 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.521 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG13 HD11 ' A' ' 38' ' ' LEU . 24.9 t -57.57 -26.64 27.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 6.5 tt -52.35 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.422 178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.603 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 23.7 p90 -68.82 -35.69 77.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.765 -177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.914 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.09 -41.74 94.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.729 -174.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD22 HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -61.25 -46.43 90.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.736 ' HA2' HD12 ' A' ' 61' ' ' ILE . . . -53.22 -33.64 46.07 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.336 170.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.68 ' HB3' HG11 ' A' ' 41' ' ' VAL . 23.4 mm-40 -65.15 -58.69 5.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.386 0.136 . . . . 0.0 110.703 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.459 ' HA ' HG22 ' A' ' 63' ' ' THR . 75.8 t80 -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.165 -174.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.779 HG23 HG11 ' A' ' 75' ' ' VAL . 14.1 mt -57.84 -66.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.9 mtt -62.19 -33.44 74.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.726 -174.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.658 HG23 ' HG2' ' A' ' 64' ' ' LYS . 13.6 t -76.05 -32.95 59.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.724 -168.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.3 mmtt -95.99 12.02 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.063 0.459 . . . . 0.0 111.058 -174.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 83.4 mtm180 49.11 40.94 18.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.426 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 80' ' ' ASP . 14.0 mt -91.47 -5.99 53.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.842 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 44.1 p90 -67.74 -179.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.818 177.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.558 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 9.8 t0 -59.0 -92.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 12.2 pt-20 174.96 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.898 0.38 . . . . 0.0 110.65 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -129.23 -44.89 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.219 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.29 75.74 5.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.038 163.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.696 HE21 ' H ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -56.12 -15.82 4.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.243 -172.448 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.678 ' O ' ' HA ' ' A' ' 92' ' ' SER . 7.5 p80 -80.86 13.0 2.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.128 178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 11.5 mm -119.03 86.35 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.165 0 CA-C-O 121.0 0.428 . . . . 0.0 110.57 171.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.842 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.5 t -89.28 98.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.432 -168.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 4.0 m-85 -68.87 112.0 5.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.1 p -142.86 74.62 1.45 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 -175.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.6 t -96.85 -14.67 21.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -136.07 46.86 2.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.728 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 66' ' ' LEU . 68.6 m-20 -129.26 162.3 28.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.031 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 4.0 mm? -59.81 -37.42 79.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.252 171.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD13 HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -56.25 -32.35 64.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.178 170.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.53 -41.66 99.77 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.42 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.523 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.0 m-20 -53.79 -34.34 58.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 174.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 34' ' ' LEU . 98.0 mt -66.19 -79.73 0.04 OUTLIER 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.943 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.815 ' HB3' HG23 ' A' ' 88' ' ' VAL . 14.0 m-30 -84.97 -58.57 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.14 -171.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.53 -19.12 55.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.313 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 86' ' ' PHE . 2.1 t -50.02 145.94 8.74 Favored Pre-proline 0 N--CA 1.451 -0.387 0 CA-C-O 120.604 0.24 . . . . 0.0 111.518 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.701 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 10.5 Cg_endo -52.43 -33.31 56.33 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.385 2.056 . . . . 0.0 112.25 164.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.663 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 58.3 p -163.5 141.03 7.47 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.923 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 75' ' ' VAL . 49.5 p90 -126.34 149.33 49.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 111.51 178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.678 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 30.8 t -94.69 122.16 37.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.051 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.596 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -90.86 -28.24 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.222 -177.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 95.4 mttt -55.63 -24.09 31.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.981 0.419 . . . . 0.0 110.623 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -105.55 77.99 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.792 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.997 ' HA ' HD12 ' A' ' 99' ' ' ILE . 55.5 m80 -62.16 -13.02 23.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.274 -175.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.722 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 54.4 ttp180 -64.91 -57.92 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.751 ' HG2' ' HE2' ' A' ' 102' ' ' MET . 88.1 tttt -67.19 -50.98 58.95 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.346 -172.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 1.076 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 1.0 OUTLIER -46.94 -60.91 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.525 0 CA-C-O 121.319 0.581 . . . . 0.0 110.474 175.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.533 ' HA ' HD12 ' A' ' 103' ' ' ILE . 9.0 m-30 -71.76 -24.7 61.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.719 -160.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.748 ' HB ' ' HG2' ' A' ' 20' ' ' PRO . 9.9 t -77.85 -33.22 52.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.292 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 1.076 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 13.8 ptt? -87.78 -3.1 58.97 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.802 177.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 99' ' ' ILE . 94.6 mt -80.98 -44.75 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.672 166.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.471 ' HD1' HG23 ' A' ' 108' ' ' VAL . 97.1 m-85 -93.04 98.1 11.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 175.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -154.41 -63.58 0.13 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.48 117.59 23.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' HB2' ' HE3' ' A' ' 31' ' ' LYS . 1.4 tm? 55.7 89.19 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.488 -177.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.684 ' O ' HG12 ' A' ' 109' ' ' VAL . 14.0 p -138.49 152.66 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.403 -172.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER 61.73 157.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.314 168.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.8 p -120.97 -24.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.213 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -94.43 142.5 27.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -146.12 124.18 12.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 57.27 90.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.03 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -93.24 -32.78 14.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.906 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.8 t -93.16 115.27 27.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.4 p -151.0 14.39 0.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -95.52 -64.27 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.6 m 56.73 85.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.942 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.8 mtm . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.758 0.313 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.76 -22.47 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.11 137.17 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.3 m -148.29 104.64 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.033 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -96.68 97.18 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 58.2 ttp -152.27 131.92 13.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.2 t -151.59 -18.4 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.86 87.25 21.4 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.12 -165.8 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.532 2.155 . . . . 0.0 112.311 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -63.76 -38.37 90.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.181 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -149.12 104.74 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -107.32 -32.01 3.59 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.488 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.25 -174.61 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.905 0.383 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -110.58 -70.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -151.81 110.13 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 t -164.93 140.81 5.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.9 t -97.28 -70.93 0.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' C ' ' HD2' ' A' ' 20' ' ' PRO . 53.8 tt0 -160.81 -41.8 0.05 OUTLIER 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.139 0.495 . . . . 0.0 110.345 178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.805 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -79.9 -24.58 0.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -156.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 19' ' ' ILE . 88.9 Cg_exo -42.14 145.02 0.92 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.509 2.139 . . . . 0.0 112.51 172.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.809 ' HB2' ' HD3' ' A' ' 51' ' ' LYS . . . -62.9 155.69 26.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.229 -177.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.5 t 64.76 10.62 6.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -95.77 -79.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.575 173.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -135.13 90.1 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.459 170.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.603 ' HG2' HG22 ' A' ' 26' ' ' THR . 34.4 tt0 -98.31 -102.63 0.2 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.802 -170.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.691 HG21 HG12 ' A' ' 28' ' ' VAL . 14.4 t 157.75 179.99 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.203 -165.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' H ' HG12 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -145.56 72.74 1.32 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.983 144.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.691 HG12 HG21 ' A' ' 26' ' ' THR . 0.3 OUTLIER -84.83 148.26 4.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.2 -158.322 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -128.57 76.64 78.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.372 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.628 ' HD3' HG22 ' A' ' 28' ' ' VAL . 97.3 Cg_endo -81.79 153.27 17.31 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.849 2.366 . . . . 0.0 113.108 -164.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 62.3 tttp -52.71 144.88 23.6 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.569 170.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.681 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 Cg_endo -48.18 91.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.868 2.379 . . . . 0.0 112.599 176.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 31' ' ' LYS . 2.9 pp -178.85 -8.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.035 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD21 HD13 ' A' ' 85' ' ' LEU . 2.0 mm? -108.01 -11.49 15.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.127 165.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.723 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -102.37 -38.88 7.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.711 -172.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HD3' ' OD2' ' A' ' 84' ' ' ASP . 56.3 tttm -61.02 -6.39 1.87 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.236 0.541 . . . . 0.0 109.93 165.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.825 HD12 ' HA3' ' A' ' 83' ' ' GLY . 5.4 tt -97.72 -41.48 8.07 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.257 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 53' ' ' VAL . 3.4 mp -98.5 -42.15 7.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.37 -173.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 46.6 mtmt -59.2 -17.82 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.479 172.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.2 t -67.66 -50.92 55.39 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.002 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.44 -53.86 42.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.936 0.398 . . . . 0.0 110.738 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.64 -16.78 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.228 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -55.74 161.1 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.328 . . . . 0.0 111.292 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -172.35 76.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -141.62 178.15 7.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.772 177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -91.87 -23.3 19.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.732 177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -137.66 170.23 16.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.934 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.723 ' CE2' HD12 ' A' ' 35' ' ' LEU . 89.1 m-85 -144.16 177.56 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.437 178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.1 p -134.72 172.65 12.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.067 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.602 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 32.6 mtp -73.35 -22.38 60.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.334 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.809 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 56.3 tptt -80.74 -44.28 18.9 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.94 0.4 . . . . 0.0 110.394 175.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.684 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 5.5 mm-40 -51.36 -67.59 0.24 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.312 170.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.743 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.5 t -54.6 -28.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.439 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.578 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 58.9 tp -52.35 -72.31 0.05 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 0.0 110.804 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.2 p90 -78.14 -23.51 47.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.313 -175.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.684 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.86 -54.88 6.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.298 -176.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' O ' HG13 ' A' ' 61' ' ' ILE . 46.4 tp -54.04 -43.32 70.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 171.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -45.78 -39.4 8.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.243 172.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 6.9 mm-40 -60.29 -71.46 0.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.654 0.264 . . . . 0.0 110.51 172.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -49.08 -36.65 19.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -168.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 75' ' ' VAL . 41.8 mt -54.38 -69.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.641 171.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.5 ptp -101.91 44.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.797 -176.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 96.4 m -130.56 -41.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.341 173.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 2.7 mmmp? -95.13 22.46 6.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.073 -175.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 57.0 64.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.966 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' OD1' ' A' ' 80' ' ' ASP . 11.4 mt -121.32 -11.5 8.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.613 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 46.2 p90 -73.97 -177.61 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.673 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 10.1 t0 -67.89 -94.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 10.2 tp10 174.96 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.9 0.381 . . . . 0.0 110.394 -178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -111.38 -67.44 1.0 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.241 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -87.96 91.84 8.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.039 163.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -57.41 -13.97 4.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.102 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.617 ' O ' ' HA ' ' A' ' 92' ' ' SER . 61.5 m-70 -70.1 -9.05 54.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -179.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.673 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 10.3 mm -98.35 95.53 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.101 0 CA-C-O 120.819 0.343 . . . . 0.0 110.542 177.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 61' ' ' ILE . 2.8 t -96.67 92.06 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.432 -166.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 5.5 m-85 -63.39 118.1 7.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.94 176.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 82' ' ' LEU . 72.2 m -119.06 62.16 0.8 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.966 -173.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.1 t -93.46 -5.24 49.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.128 -177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.47 -58.81 1.17 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -55.43 -27.59 48.89 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.172 0.51 . . . . 0.0 111.035 176.503 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 90.7 mt 50.7 21.68 0.96 Allowed 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.26 -166.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.773 HD22 HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER 46.71 47.81 14.8 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 -178.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.825 ' HA3' HD12 ' A' ' 37' ' ' LEU . . . 109.55 -0.94 30.73 Favored Glycine 0 N--CA 1.438 -1.23 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.76 171.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 83' ' ' GLY . 66.6 m-20 73.61 -1.64 3.0 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.996 0.427 . . . . 0.0 110.23 -154.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -94.84 -34.41 12.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.996 -157.371 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.831 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -122.12 -28.36 4.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.968 -175.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 56.49 15.23 10.97 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.634 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -45.78 152.97 0.67 Allowed Pre-proline 0 N--CA 1.455 -0.22 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -174.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.652 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 63.3 Cg_endo -70.91 -37.06 6.85 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.141 1.894 . . . . 0.0 111.508 151.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.703 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 44.2 p -174.41 136.62 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.408 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.755 ' CE2' ' HG ' ' A' ' 82' ' ' LEU . 19.6 p90 -123.66 147.59 47.26 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.319 177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 38.2 p -91.05 90.57 7.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.696 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 73' ' ' HIS . 10.2 p -57.01 -32.77 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.708 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 73' ' ' HIS . 62.6 tttm -53.27 -29.96 35.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.567 177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.05 61.12 5.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.691 174.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.613 ' HA ' HG22 ' A' ' 99' ' ' ILE . 73.2 m80 -57.1 -26.9 61.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.053 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -56.79 -65.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.714 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.638 ' O ' ' HG2' ' A' ' 102' ' ' MET . 75.7 mmtt -70.18 -47.49 61.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.635 ' HA ' ' CE ' ' A' ' 102' ' ' MET . 0.3 OUTLIER -52.62 -34.98 20.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.256 -173.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.497 ' HD1' HG23 ' A' ' 99' ' ' ILE . 4.1 m-30 -89.41 -29.61 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.551 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.554 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 23.7 p -76.22 -9.37 58.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.29 179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.667 ' HG3' ' HZ ' ' A' ' 86' ' ' PHE . 17.2 ptt? -107.33 -22.72 12.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.099 174.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 99' ' ' ILE . 42.0 mt -58.33 -46.62 89.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 110.85 165.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.47 ' HE1' HG11 ' A' ' 28' ' ' VAL . 97.8 m-85 -96.28 113.55 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.511 ' O ' ' HD3' ' A' ' 105' ' ' ARG . 3.8 tmt_? -77.7 -11.44 59.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.629 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.447 ' C ' HD22 ' A' ' 106' ' ' ASN . 0.2 OUTLIER 64.4 57.55 1.16 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.72 -179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' NH1' ' A' ' 105' ' ' ARG . 57.4 tp -125.67 -54.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.799 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.5 t -107.17 80.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.19 173.32 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.936 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.514 HG21 HE21 ' A' ' 112' ' ' GLN . 10.1 p -100.09 142.76 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.998 179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -117.2 -33.83 4.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 -176.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.514 HE21 HG21 ' A' ' 110' ' ' VAL . 84.2 mm-40 57.29 20.5 5.86 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.012 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -150.26 148.15 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.977 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.41 104.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.3 t -61.21 107.45 0.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.9 m -132.76 17.0 4.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.774 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -124.9 178.09 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p 50.63 -166.2 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.9 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 32.0 p 40.78 42.95 1.57 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.38 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -139.22 -34.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -92.84 -44.61 8.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -80.62 -35.04 34.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.0 mmt -93.35 72.36 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -96.71 40.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 8' ' ' VAL . 12.7 m -81.87 114.8 53.12 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.331 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.89 -26.48 9.5 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.622 2.215 . . . . 0.0 112.285 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 55.8 p 51.45 -170.31 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.533 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 56.45 28.04 13.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.016 -179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -105.79 157.2 16.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.91 132.07 5.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.355 . . . . 0.0 111.133 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -102.92 -54.08 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.944 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.6 m -129.28 114.29 16.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.902 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.0 p 50.79 -170.2 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.405 -176.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -165.94 144.86 6.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.013 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.651 ' HA ' ' HB2' ' A' ' 96' ' ' HIS . 10.1 pt20 -160.55 -156.39 0.47 Allowed 'General case' 0 CA--C 1.501 -0.912 0 CA-C-O 121.188 0.518 . . . . 0.0 110.911 177.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.449 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -146.39 145.0 22.23 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.919 163.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.7 Cg_endo -91.91 82.84 0.3 Allowed 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 123.232 2.621 . . . . 0.0 111.573 165.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 25' ' ' GLU . . . 63.84 -170.57 0.18 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.737 -166.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.539 ' H ' ' HG3' ' A' ' 50' ' ' MET . 95.1 p -74.19 72.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.755 0.312 . . . . 0.0 111.108 -174.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 8.4 tp10 54.51 10.89 0.37 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.713 -174.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 1.8 mm-40 -179.61 -85.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.563 -174.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.816 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 39.7 tt0 -171.87 -82.16 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.423 168.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.66 HG22 ' H ' ' A' ' 110' ' ' VAL . 0.7 OUTLIER 77.22 149.33 0.1 Allowed 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.207 -166.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD21 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -98.05 127.97 44.31 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.144 159.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG12 ' HD3' ' A' ' 30' ' ' PRO . 25.6 t -107.08 134.49 48.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.465 -162.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' HD2' HG22 ' A' ' 47' ' ' THR . 10.2 ptm180 -165.95 61.3 0.7 Allowed Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.982 -177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HG2' ' HG ' ' A' ' 34' ' ' LEU . 9.7 Cg_endo -93.34 56.3 0.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.551 2.834 . . . . 0.0 112.723 -165.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 63.75 154.14 0.12 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.967 178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.05 84.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.717 2.278 . . . . 0.0 112.625 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -175.27 -7.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.63 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HG ' ' HG2' ' A' ' 30' ' ' PRO . 1.9 mm? -106.17 -10.13 16.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.757 164.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.676 HD23 ' CE1' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -119.02 -27.42 5.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.714 -174.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' O ' HD23 ' A' ' 81' ' ' LEU . 35.0 mmtp -59.33 -15.34 15.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.409 0.623 . . . . 0.0 109.408 155.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.766 ' HG ' HD11 ' A' ' 85' ' ' LEU . 2.4 tm? -85.26 -44.4 12.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.097 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.778 HD22 ' HB3' ' A' ' 56' ' ' TYR . 85.4 mt -96.66 -51.69 4.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.577 -169.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 43' ' ' ALA . 97.4 mttt -47.52 -22.5 0.48 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.231 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.4 m -67.98 -52.68 33.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.281 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.706 ' HB ' ' HD1' ' A' ' 60' ' ' TYR . 6.6 p -70.35 -18.0 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.542 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.12 -37.12 0.21 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.176 -1.011 . . . . 0.0 113.5 174.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . . . -62.49 168.79 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.438 -170.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -176.51 80.01 0.02 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.09 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 47' ' ' THR . 45.1 mtmt -141.11 -163.88 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.722 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.47 -41.82 8.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.641 173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.735 ' HB ' HD21 ' A' ' 27' ' ' LEU . 7.9 p -122.95 147.42 46.64 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.402 0.62 . . . . 0.0 111.696 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CE1' HD23 ' A' ' 35' ' ' LEU . 57.7 m-85 -109.68 -177.65 3.33 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.677 175.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.614 ' O ' HG12 ' A' ' 53' ' ' VAL . 30.5 p -141.15 155.25 46.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.379 164.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.602 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.95 -15.69 24.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.754 -163.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 24.0 tptm -88.17 -38.43 15.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.405 0.621 . . . . 0.0 110.007 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 10.3 tt0 -61.82 -59.39 5.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.561 172.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 38' ' ' LEU . 2.3 p -64.77 -21.53 29.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.109 178.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' A' ' 50' ' ' MET . 58.5 tp -52.72 -65.13 0.61 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.8 0.333 . . . . 0.0 110.805 170.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -81.11 -18.59 45.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.99 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.778 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -82.54 -32.5 28.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.478 -176.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.4 tt -82.76 -41.21 19.48 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 177.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -52.52 -41.88 56.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.212 171.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.615 ' HG3' HG21 ' A' ' 41' ' ' VAL . 12.0 pt20 -73.95 -44.29 55.41 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.123 -0.231 . . . . 0.0 111.152 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.706 ' HD1' ' HB ' ' A' ' 41' ' ' VAL . 74.8 t80 -59.87 -41.96 92.68 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.045 -179.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.817 HG23 HG21 ' A' ' 75' ' ' VAL . 37.1 mt -53.39 -66.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.941 0.4 . . . . 0.0 110.723 173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HA ' ' HB3' ' A' ' 67' ' ' TYR . 26.6 ptm -59.46 -11.64 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.439 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.561 HG22 ' HG2' ' A' ' 64' ' ' LYS . 72.4 m -102.41 164.22 11.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.712 0.292 . . . . 0.0 110.835 177.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' ' 63' ' ' THR . 32.4 mmmt 67.31 35.24 4.45 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.172 175.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 40.58 41.86 1.21 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.696 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.555 HD11 ' CG ' ' A' ' 80' ' ' ASP . 0.9 OUTLIER -92.34 -34.82 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 173.467 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.8 p90 -65.85 -175.22 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.709 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 22.2 t0 -85.55 -95.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 56.6 tt0 176.79 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.941 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' HB2' ' HE1' ' A' ' 73' ' ' HIS . 57.5 mtpt -54.62 -67.78 0.24 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -143.14 27.19 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.678 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.51 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 16.1 mt-30 61.78 20.52 11.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.991 176.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.9 p-80 -86.8 -31.33 20.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.793 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 24.4 mm -94.9 159.76 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.307 169.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.817 HG21 HG23 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -161.96 101.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.449 . . . . 0.0 110.981 -179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 90' ' ' SER . 46.8 m-85 -85.59 135.55 33.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.899 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.7 p -137.95 75.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.32 -172.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -89.03 113.7 24.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.633 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 60.51 68.76 0.73 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -175.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.555 ' CG ' HD11 ' A' ' 66' ' ' LEU . 11.1 m-20 -143.6 164.1 31.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.898 -178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 36' ' ' LYS . 6.3 mp -65.01 -41.34 95.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD23 HD12 ' A' ' 85' ' ' LEU . 3.9 mt -54.27 -26.92 31.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.483 167.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.52 96.34 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.288 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.542 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.3 m-20 -55.05 -30.57 59.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.614 0.245 . . . . 0.0 110.772 174.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 HD23 ' A' ' 82' ' ' LEU . 16.9 mt -64.41 -78.48 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.09 0.472 . . . . 0.0 110.907 173.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' HZ ' HD11 ' A' ' 99' ' ' ILE . 10.4 m-85 -86.91 -67.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.121 -170.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 118.53 -35.07 4.14 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.955 -168.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.676 HG12 ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -49.0 149.97 3.0 Favored Pre-proline 0 N--CA 1.452 -0.34 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 177.279 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.676 ' HD2' HG12 ' A' ' 88' ' ' VAL . 59.1 Cg_endo -70.0 -8.19 23.0 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.316 2.011 . . . . 0.0 112.802 162.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.538 ' HB3' ' CD2' ' A' ' 76' ' ' TYR . 65.2 p -158.67 143.07 15.78 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.431 -177.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.437 ' HZ ' HG12 ' A' ' 61' ' ' ILE . 28.5 p90 -148.85 165.56 31.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.968 166.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -123.81 125.56 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -171.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -83.35 -19.54 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.234 175.247 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.631 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 5.8 ttpm? -53.45 -35.31 60.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.976 0.417 . . . . 0.0 110.674 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 98' ' ' LYS . 5.5 pt-20 -102.75 87.86 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.682 173.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 18' ' ' GLN . 76.3 m80 -70.28 -37.3 74.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.467 -171.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -58.43 -48.47 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.678 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 102' ' ' MET . 59.0 tttp -79.55 -30.24 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.182 -175.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.632 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.0 OUTLIER -69.59 -35.76 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -177.319 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 99' ' ' ILE . 5.7 m-30 -85.71 -29.51 23.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.513 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 98' ' ' LYS . 12.3 t -68.92 -27.14 65.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.723 0.297 . . . . 0.0 110.981 177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.64 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 56.6 mtm -71.66 -49.33 40.8 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.435 169.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 99' ' ' ILE . 67.7 mt -49.28 -38.2 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.254 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.94 113.37 26.77 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -137.27 -26.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.792 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -81.01 160.27 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.827 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD22 ' N ' ' A' ' 107' ' ' LEU . 3.2 mm? -94.41 50.39 1.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 30' ' ' PRO . 21.4 t -127.7 77.67 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.812 HG23 HG12 ' A' ' 110' ' ' VAL . 27.6 m -142.18 -165.18 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.99 -178.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.812 HG12 HG23 ' A' ' 109' ' ' VAL . 2.1 p 37.43 -89.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.33 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.809 ' H ' HG13 ' A' ' 110' ' ' VAL . 7.9 t30 52.4 78.85 0.12 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.416 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 11.8 pt20 -166.48 168.93 14.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -104.59 68.28 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -163.93 95.28 0.78 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.812 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t -155.87 -43.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.3 m -135.93 172.88 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 -179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -136.46 142.01 43.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -120.27 17.23 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.312 -0.851 . . . . 0.0 110.879 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.4 mmm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.9 m -124.75 38.92 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.4 t30 56.9 82.04 0.12 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 -178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 t -136.21 165.28 26.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.067 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 57.43 85.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -135.89 -16.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.4 p -157.23 26.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.53 100.44 30.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.065 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.49 135.88 71.3 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.636 2.224 . . . . 0.0 112.296 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.3 t -86.46 -20.03 28.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -157.53 124.65 5.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.61 -38.61 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.554 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.88 -174.04 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.698 0.285 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.848 HG22 ' H ' ' A' ' 15' ' ' THR . 3.7 p -74.29 -157.59 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.648 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.848 ' H ' HG22 ' A' ' 14' ' ' VAL . 5.2 m -151.19 23.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.728 -174.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.633 ' H ' HG13 ' A' ' 14' ' ' VAL . 58.8 m 63.67 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.312 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -82.83 155.72 24.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HB2' ' H ' ' A' ' 19' ' ' ILE . 3.5 pt20 -158.48 -149.88 0.23 Allowed 'General case' 0 CA--C 1.505 -0.785 0 CA-C-O 121.449 0.642 . . . . 0.0 111.107 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -146.34 161.84 37.12 Favored Pre-proline 0 N--CA 1.44 -0.944 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.337 165.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' N ' HG13 ' A' ' 19' ' ' ILE . 26.5 Cg_exo -62.18 81.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.85 2.366 . . . . 0.0 112.032 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.46 -172.13 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.995 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.3 t -107.95 30.87 5.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 -177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 24' ' ' GLN . 40.6 tt0 55.37 95.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.035 -179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 64.9 tt0 65.19 144.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.768 -174.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.668 ' HG3' ' H ' ' A' ' 26' ' ' THR . 6.5 pt-20 -173.94 -60.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.023 0.439 . . . . 0.0 111.382 -166.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.668 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 59.2 m -113.71 122.11 46.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -166.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -74.98 71.36 2.06 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 168.127 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.789 HG21 ' HE2' ' A' ' 104' ' ' TYR . 0.2 OUTLIER -78.54 139.01 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.02 -177.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -128.14 75.21 78.92 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.491 -170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.16 147.52 94.9 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.968 2.446 . . . . 0.0 112.751 -166.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HD2' ' A' ' 32' ' ' PRO . 15.1 tppt? -52.74 133.6 46.77 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.241 169.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.564 ' HB3' ' HE2' ' A' ' 36' ' ' LYS . 73.6 Cg_exo -40.91 91.8 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.96 2.44 . . . . 0.0 113.128 -172.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 mt -149.67 -48.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.778 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.946 HD11 HD22 ' A' ' 85' ' ' LEU . 4.0 mm? -88.38 -22.82 23.58 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.143 0.497 . . . . 0.0 109.686 -174.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD12 ' H ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -92.82 -18.86 22.34 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.431 -170.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.564 ' HE2' ' HB3' ' A' ' 32' ' ' PRO . 5.0 mptp? -72.27 -7.12 47.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.036 160.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD13 ' H ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -114.55 -14.26 12.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.671 178.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 mt -113.11 -29.91 7.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.326 -173.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -76.11 -5.67 47.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.066 0.46 . . . . 0.0 110.113 168.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.5 t -79.69 -42.98 23.58 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.984 175.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -51.44 -78.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.172 0.51 . . . . 0.0 110.497 176.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.17 12.49 0.24 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.786 171.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . . . -84.93 175.61 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' H ' ' H ' ' A' ' 45' ' ' LYS . 8.9 tt0 -156.84 -13.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.547 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' H ' ' H ' ' A' ' 44' ' ' GLN . 33.7 mtmm -64.38 143.78 57.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -87.66 1.45 53.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 172.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.865 ' HB ' HD11 ' A' ' 27' ' ' LEU . 32.8 p -128.34 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.17 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 35' ' ' LEU . 52.0 m-85 -136.44 -176.93 4.5 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.386 0.612 . . . . 0.0 111.718 -177.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 27' ' ' LEU . 21.5 p -136.84 175.36 9.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.229 172.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.404 ' HG2' ' HB ' ' A' ' 26' ' ' THR . 26.4 mmt -68.47 -31.98 71.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.098 -175.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 59.3 tttm -85.66 -37.91 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.146 0.498 . . . . 0.0 110.048 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.0 tp10 -51.45 -63.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.322 171.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 104' ' ' TYR . 22.9 m -56.62 -31.39 34.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.641 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 49.9 tp -47.95 -68.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.755 0.312 . . . . 0.0 110.671 176.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.4 p90 -78.65 -26.02 45.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.366 -177.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -74.13 -46.56 41.76 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.692 0.282 . . . . 0.0 111.526 -173.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.864 HD21 HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -44.82 94.78 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 170.604 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.16 -32.11 6.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.261 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 24.4 mm-40 -63.49 -72.42 0.14 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 116.626 0.213 . . . . 0.0 110.536 174.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -54.96 -36.43 65.33 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.102 -169.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.883 HG23 HG21 ' A' ' 75' ' ' VAL . 19.6 mt -59.41 -63.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 177.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.0 mtp -61.77 -58.27 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.48 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 59' ' ' GLN . 46.3 p -39.94 -55.37 2.03 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.178 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.57 22.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.36 -169.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 50.83 44.03 28.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.14 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 61' ' ' ILE . 14.0 mt -94.06 -13.51 26.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.777 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.697 ' HA ' ' HB ' ' A' ' 75' ' ' VAL . 23.3 p90 -59.6 -179.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.178 -177.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.937 ' HB2' ' HB ' ' A' ' 74' ' ' ILE . 14.5 t70 -66.71 -88.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -174.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 68' ' ' ASP . 41.4 tt0 175.09 -33.13 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.667 176.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -128.8 -45.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.267 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.548 ' HB3' ' NE2' ' A' ' 73' ' ' HIS . 52.9 mt-30 -91.56 78.12 5.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.06 164.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 20.9 mt-30 -60.79 -13.74 17.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.152 -171.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.548 ' NE2' ' HB3' ' A' ' 71' ' ' GLN . 6.2 p-80 -72.62 2.87 5.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.901 175.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.937 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 21.7 mm -109.78 164.67 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.821 165.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.883 HG21 HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -161.33 113.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.133 0.492 . . . . 0.0 111.464 -178.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.567 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 1.0 OUTLIER -78.69 158.61 28.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.2 177.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.8 p -85.01 50.65 1.98 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.3 t -69.97 83.02 0.49 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 175.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.88 75.17 0.39 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.533 ' OD1' HD22 ' A' ' 66' ' ' LEU . 3.0 p-10 -170.89 -19.23 0.01 OUTLIER 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.931 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 84' ' ' ASP . 91.0 mt 43.4 37.11 1.26 Allowed 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.931 -171.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.753 HD21 ' HB2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -3.35 116.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.295 1.045 . . . . 0.0 113.417 -157.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.757 ' H ' HD13 ' A' ' 37' ' ' LEU . . . 69.44 3.4 39.59 Favored Glycine 0 N--CA 1.44 -1.053 0 CA-C-N 113.988 -1.46 . . . . 0.0 112.826 -175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.51 ' HA ' ' HB2' ' A' ' 81' ' ' LEU . 9.5 m-20 54.77 11.99 0.53 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.441 0.639 . . . . 0.0 109.307 -161.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.946 HD22 HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -110.51 -42.61 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.918 -146.3 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.753 ' HB2' HD21 ' A' ' 82' ' ' LEU . 1.8 m-30 -103.84 -53.51 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.118 -175.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 93.26 13.84 55.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.592 ' H ' HD11 ' A' ' 82' ' ' LEU . 2.4 m -58.63 154.02 37.52 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.488 0.185 . . . . 0.0 110.848 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 92.2 Cg_endo -79.04 -23.35 7.86 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.388 2.059 . . . . 0.0 111.437 160.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 47.1 p -172.6 139.53 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.839 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.575 ' HD2' HG21 ' A' ' 88' ' ' VAL . 51.1 p90 -135.86 160.51 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.067 0.461 . . . . 0.0 111.824 177.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.503 ' HB3' ' OE2' ' A' ' 95' ' ' GLU . 70.0 m -99.41 90.95 4.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.943 -176.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -48.6 -70.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.44 174.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' H ' HG23 ' A' ' 93' ' ' VAL . 62.9 tttp -47.94 -27.88 2.41 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -174.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' OE2' ' HB3' ' A' ' 92' ' ' SER . 0.7 OUTLIER -80.2 52.85 1.64 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.494 170.617 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.758 ' HA ' HG22 ' A' ' 99' ' ' ILE . 63.0 m-70 -56.91 -27.53 60.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -175.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -50.58 -59.91 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.664 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 102' ' ' MET . 96.2 mttt -75.39 -52.74 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.054 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.2 OUTLIER -51.07 -31.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.338 -173.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 103' ' ' ILE . 7.8 m-30 -89.78 -37.7 14.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.787 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 16.7 p -63.98 -16.4 61.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.678 0.275 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.665 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 29.7 mtm -87.62 -43.86 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.382 170.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.571 HG13 ' O ' ' A' ' 99' ' ' ILE . 52.8 mt -52.43 -38.49 26.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.201 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.789 ' HE2' HG21 ' A' ' 28' ' ' VAL . 93.4 m-85 -104.86 124.28 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.95 0.405 . . . . 0.0 111.271 -175.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -133.47 165.29 25.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.578 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 58.53 -172.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.1 mt -105.1 89.09 3.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.968 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.83 93.64 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.034 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.453 HG12 HG21 ' A' ' 26' ' ' THR . 28.2 m -139.27 -166.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.017 -178.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.0 t -52.47 -51.73 31.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.069 178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.23 121.29 15.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -93.73 -53.62 3.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.797 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -99.8 143.88 29.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -131.68 -61.43 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t 56.31 73.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 47.6 t 60.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.23 178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.4 t70 57.32 88.76 0.05 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 53.5 m -73.09 174.04 8.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.887 -179.949 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.754 0.311 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.5 p -138.92 128.28 24.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -162.17 137.8 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 61.7 m -91.68 97.59 11.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.002 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -85.28 91.25 8.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.984 -178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.2 mtt -135.06 -63.48 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 178.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.0 t -157.41 14.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.817 179.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -133.24 74.06 73.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.256 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.04 137.79 38.45 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.528 2.152 . . . . 0.0 112.251 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -89.51 123.43 33.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -156.23 143.56 19.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.25 -142.83 16.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 179.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 132.05 13.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -107.01 -59.55 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.939 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -99.75 173.15 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.021 179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.0 p -56.58 -61.0 2.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.159 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -164.06 -47.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.029 178.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG2' ' HD3' ' A' ' 97' ' ' ARG . 8.6 tp-100 -145.95 -46.06 0.2 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.12 0.486 . . . . 0.0 110.103 179.357 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.559 HD13 ' HB3' ' A' ' 96' ' ' HIS . 21.6 pt -77.92 112.73 27.11 Favored Pre-proline 0 N--CA 1.447 -0.579 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.577 -156.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.608 ' HB2' ' HG3' ' A' ' 23' ' ' GLU . 85.8 Cg_endo -83.38 118.88 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.77 2.314 . . . . 0.0 112.268 -179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 152.33 40.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.0 t 60.54 20.61 10.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.12 177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.608 ' HG3' ' HB2' ' A' ' 20' ' ' PRO . 14.6 mm-40 -112.36 -72.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.811 176.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -115.53 87.27 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.491 173.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 26' ' ' THR . 29.7 tt0 -108.95 -105.42 0.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 -173.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.718 HG21 HG12 ' A' ' 28' ' ' VAL . 12.1 t 159.85 178.85 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -164.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' H ' ' HA ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -144.2 74.01 1.4 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.349 -0.841 . . . . 0.0 108.836 142.921 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.718 HG12 HG21 ' A' ' 26' ' ' THR . 0.2 OUTLIER -81.53 143.86 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.979 -158.701 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -133.92 77.41 62.69 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.122 -176.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' HG3' HG22 ' A' ' 28' ' ' VAL . 4.8 Cg_exo -80.76 150.65 18.76 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.992 2.461 . . . . 0.0 112.438 -163.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -55.8 114.97 8.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.928 164.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HA ' HD21 ' A' ' 35' ' ' LEU . 3.6 Cg_endo -47.64 107.33 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.992 2.461 . . . . 0.0 112.529 -166.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' HD23 ' A' ' 34' ' ' LEU . 47.7 mt -105.27 -33.21 8.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 175.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.815 ' HB3' ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -177.95 100.22 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.221 168.428 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.813 HD12 ' CE2' ' A' ' 48' ' ' TYR . 2.6 mm? -115.13 -7.24 12.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.193 177.226 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.1 mptp? -69.27 -9.52 53.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.431 0.634 . . . . 0.0 109.336 151.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 3.1 tm? -72.36 -24.01 61.22 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.528 170.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.732 HD22 ' HB3' ' A' ' 56' ' ' TYR . 15.5 mt -125.51 -58.55 1.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.371 -177.103 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.746 ' HG3' ' OH ' ' A' ' 48' ' ' TYR . 71.1 mttt -41.37 -38.78 1.29 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.298 176.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' LYS . 48.1 t -74.52 -47.66 31.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.057 -177.154 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 38' ' ' LEU . 14.6 p -71.4 -0.59 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -178.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.83 -38.07 0.61 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.482 -0.866 . . . . 0.0 113.08 171.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -60.94 169.69 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 111.399 -170.131 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -146.64 -30.27 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -177.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -63.35 153.02 36.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.01 -175.277 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.22 -11.36 59.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.1 p -123.63 177.97 5.43 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.964 175.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 35' ' ' LEU . 61.8 m-85 -148.33 173.37 13.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.463 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 53' ' ' VAL . 8.0 p -137.14 -174.22 3.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.046 175.05 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.569 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 33.8 mtp -78.3 -37.48 44.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 111.399 -175.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 65.1 pttt -77.6 -37.15 50.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.225 0.536 . . . . 0.0 110.155 176.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.639 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 0.6 OUTLIER -54.56 -57.32 11.85 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.324 172.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 49' ' ' THR . 59.9 t -70.47 -20.35 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.138 177.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.656 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 20.8 tp -52.15 -73.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.533 176.133 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 19.0 p90 -72.15 -26.25 62.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.197 -176.391 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.732 ' HB3' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -74.96 -47.54 28.95 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.823 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -58.73 -39.22 80.25 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 172.801 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.44 86.08 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.282 169.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.89 -54.27 44.23 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.611 0.243 . . . . 0.0 110.846 178.265 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.504 ' CD2' HD22 ' A' ' 37' ' ' LEU . 21.0 t80 -61.23 -44.47 97.2 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.433 -171.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 75' ' ' VAL . 4.0 pt -64.84 -47.99 86.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.228 -177.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 26.3 ptm -63.97 -14.22 52.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.791 175.023 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 60' ' ' TYR . 81.7 p -107.63 -177.97 3.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 171.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.694 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 53.79 16.09 0.96 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.578 173.465 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 41.77 65.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.165 172.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.539 HD22 ' OD1' ' A' ' 80' ' ' ASP . 10.8 mt -124.42 -16.44 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.642 169.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 72' ' ' GLN . 25.5 p90 -75.09 142.49 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.021 -175.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' OD1' ' HG2' ' A' ' 70' ' ' LYS . 34.8 t0 -55.4 132.45 48.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.53 177.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -76.47 -0.42 22.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.998 -177.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.495 ' HG2' ' OD1' ' A' ' 68' ' ' ASP . 13.9 mmmm -68.18 -77.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.612 ' HB2' ' ND1' ' A' ' 73' ' ' HIS . 44.4 mt-30 -136.38 17.41 3.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.535 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 9.9 mt-30 64.83 -1.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.403 175.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.612 ' ND1' ' HB2' ' A' ' 71' ' ' GLN . 24.7 p-80 -74.41 -33.44 63.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.458 177.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 75' ' ' VAL . 24.3 mm -92.19 154.04 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.389 167.159 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.79 HG21 HG22 ' A' ' 61' ' ' ILE . 1.4 p -154.69 115.14 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.68 168.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.604 ' CD1' ' HB3' ' A' ' 90' ' ' SER . 53.8 m-85 -86.51 121.6 29.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.402 -171.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.572 ' HA ' ' OD2' ' A' ' 80' ' ' ASP . 73.6 m -147.91 77.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.958 -175.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.736 ' HB2' ' HA ' ' A' ' 89' ' ' PRO . 48.0 t -98.58 -9.68 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -144.4 21.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.775 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 77' ' ' CYS . 19.9 m-20 -101.92 -177.97 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.148 -177.342 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.713 HD12 HD11 ' A' ' 34' ' ' LEU . 3.5 mm? -58.68 -50.31 74.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 176.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD22 ' HG ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -59.74 -20.52 57.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.165 171.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.06 -46.82 91.1 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.332 173.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.06 -35.15 70.94 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.641 0.258 . . . . 0.0 110.65 175.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.786 ' HG ' HD22 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -59.36 -78.69 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.191 0.52 . . . . 0.0 110.676 174.908 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.72 ' HB3' HG23 ' A' ' 88' ' ' VAL . 4.0 m-85 -86.32 -65.41 1.02 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.029 -174.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 112.08 -26.48 11.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.148 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -48.88 149.4 3.22 Favored Pre-proline 0 N--CA 1.453 -0.302 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 179.845 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.736 ' HA ' ' HB2' ' A' ' 78' ' ' SER . 19.5 Cg_endo -56.91 -35.52 98.57 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.332 2.021 . . . . 0.0 112.31 161.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.604 ' HB3' ' CD1' ' A' ' 76' ' ' TYR . 72.9 p -148.04 147.37 29.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.977 -177.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.511 ' CZ ' HG21 ' A' ' 61' ' ' ILE . 15.6 p90 -136.34 148.87 48.1 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.033 0.444 . . . . 0.0 111.372 165.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.3 m -108.74 123.48 49.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.986 -173.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -71.79 -45.82 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.216 177.742 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -50.14 -30.61 11.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.983 -176.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -86.46 62.82 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.367 171.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.646 ' HA ' HG22 ' A' ' 99' ' ' ILE . 75.0 m80 -61.27 -47.78 84.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.429 -171.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.462 ' HD3' ' HG2' ' A' ' 18' ' ' GLN . 35.2 ptt180 -53.79 -44.91 70.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 110.914 -177.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 102' ' ' MET . 60.8 mttp -77.86 -34.72 51.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 -178.158 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.646 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.1 OUTLIER -73.03 -35.24 47.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.782 -171.446 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.642 ' CD1' HG23 ' A' ' 99' ' ' ILE . 14.2 m-30 -86.33 -33.57 20.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.339 178.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.8 t -65.48 -24.01 67.05 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.87 177.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.612 ' CE ' ' HA ' ' A' ' 99' ' ' ILE . 21.1 ptt? -94.61 -16.01 23.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.31 176.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 99' ' ' ILE . 20.4 mt -52.2 -57.92 3.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.533 160.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.432 ' HE1' HG21 ' A' ' 28' ' ' VAL . 64.7 m-85 -91.09 134.42 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 -174.236 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -168.77 16.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 177.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -121.47 89.69 3.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 -178.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.6 mt 57.98 -168.54 0.13 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 177.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.13 160.17 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.407 ' HB ' ' HB ' ' A' ' 28' ' ' VAL . 27.7 m -140.96 -26.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.411 ' HA ' ' H ' ' A' ' 27' ' ' LEU . 8.5 p -85.34 -32.12 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -177.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -153.57 119.94 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.938 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -74.92 117.07 16.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -146.49 140.95 26.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -108.54 137.74 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.2 p -103.69 -35.77 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.1 p -162.68 -61.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.969 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -160.93 21.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.2 p -86.5 -22.46 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.922 -179.995 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.3 m -134.88 -1.06 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.008 179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 56.52 33.75 23.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.783 179.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.9 t -95.13 145.46 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -150.53 -39.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.892 179.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 50.1 tpp -100.18 99.05 9.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -127.54 -18.64 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.2 t -112.14 93.6 22.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.042 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.66 -30.83 17.52 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.595 2.197 . . . . 0.0 112.291 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.9 m -125.84 112.76 16.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -88.94 -179.38 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.76 112.24 4.81 Favored Glycine 0 C--N 1.329 0.172 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.401 179.237 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.87 132.47 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 0.0 111.079 -179.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG12 ' H ' ' A' ' 15' ' ' THR . 2.4 t -107.2 175.3 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.621 178.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.674 ' H ' HG12 ' A' ' 14' ' ' VAL . 83.7 m -54.36 101.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.04 178.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -104.16 126.0 50.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -177.136 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -95.36 -174.34 3.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.655 177.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -140.31 -43.83 0.41 Allowed 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.101 0.476 . . . . 0.0 110.23 179.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' A' ' 96' ' ' HIS . 23.6 pt -73.78 106.25 2.31 Favored Pre-proline 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.652 -155.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.562 ' HG2' ' HG2' ' A' ' 23' ' ' GLU . 52.8 Cg_endo -92.8 130.62 0.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.156 2.571 . . . . 0.0 112.414 -178.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 147.68 52.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.028 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 t 60.95 17.08 7.54 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.04 178.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.562 ' HG2' ' HG2' ' A' ' 20' ' ' PRO . 10.2 tp10 -102.61 -76.14 0.59 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 175.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 50' ' ' MET . 94.8 mt-30 -89.21 66.27 7.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.555 171.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.9 tt0 -81.58 -83.2 0.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.068 -171.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 110' ' ' VAL . 88.3 m 77.22 125.96 0.04 OUTLIER 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.294 -177.738 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -75.82 77.06 2.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.013 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG12 ' HD3' ' A' ' 30' ' ' PRO . 36.3 t -60.85 139.06 20.81 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.566 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.344 -156.917 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 23.5 ptt180 -172.13 68.87 0.43 Allowed Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.055 176.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.481 ' HD3' HG12 ' A' ' 28' ' ' VAL . 73.6 Cg_endo -95.96 -165.97 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.444 2.763 . . . . 0.0 112.701 -171.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -60.89 151.52 73.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.617 174.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' C ' HD13 ' A' ' 33' ' ' LEU . 18.6 Cg_exo -67.16 78.55 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.854 2.37 . . . . 0.0 112.756 -174.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.537 ' N ' HD13 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -156.03 8.51 0.24 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.95 0.405 . . . . 0.0 110.81 167.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.71 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 2.0 mt -120.23 -3.43 10.03 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 166.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.784 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -112.92 -36.6 5.08 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.744 172.557 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HG2' HD22 ' A' ' 81' ' ' LEU . 40.2 ttmt -57.26 -13.19 2.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.559 155.608 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 82' ' ' LEU . 2.1 tm? -85.8 -48.65 8.59 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.128 173.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 HD12 ' A' ' 37' ' ' LEU . 33.4 mt -90.8 -56.0 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.366 -171.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.81 ' HD3' ' HE3' ' A' ' 45' ' ' LYS . 45.1 mtmt -50.89 -13.07 0.13 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -176.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.6 t -68.4 -67.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.635 166.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.764 HG21 ' HB3' ' A' ' 59' ' ' GLN . 8.3 p -56.31 173.47 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 164.041 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.692 ' H ' HG22 ' A' ' 41' ' ' VAL . . . -74.95 64.91 2.28 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.15 -170.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.66 172.81 6.59 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.811 0.338 . . . . 0.0 111.2 177.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -158.3 72.92 0.63 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.308 -175.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.81 ' HE3' ' HD3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -34.4 -98.63 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.796 -167.735 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 51.04 45.14 28.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -148.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 p 64.4 -176.02 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.952 -164.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.784 ' CE2' HD12 ' A' ' 35' ' ' LEU . 68.8 m-85 -141.16 172.24 12.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.935 -174.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 53' ' ' VAL . 39.7 p -133.0 151.99 52.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.708 167.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.629 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -56.44 -20.05 18.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.605 -163.431 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.587 ' HA ' ' HB2' ' A' ' 54' ' ' LEU . 41.0 ttmt -88.78 -43.05 11.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.082 0.468 . . . . 0.0 110.197 179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 9.2 tt0 -51.56 -56.95 10.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.63 172.239 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD11 ' A' ' 38' ' ' LEU . 2.5 p -75.2 -17.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.123 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -51.64 -70.8 0.08 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.84 0.352 . . . . 0.0 110.496 171.543 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 18.6 p90 -71.75 -23.36 61.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.034 -177.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.527 ' O ' ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -76.25 -22.78 54.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.316 179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.705 ' HG ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -73.64 -46.21 48.07 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.578 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.68 -33.88 49.36 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.086 167.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.764 ' HB3' HG21 ' A' ' 41' ' ' VAL . 11.4 mm-40 -59.24 -62.45 1.87 Allowed 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 120.645 0.26 . . . . 0.0 110.802 176.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.61 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.5 t80 -66.98 -39.37 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.499 -168.063 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.75 HG23 HG21 ' A' ' 75' ' ' VAL . 42.3 mt -52.13 -64.58 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-O 121.011 0.434 . . . . 0.0 110.488 173.19 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.2 mmt -48.46 -67.4 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.37 176.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.769 HG23 ' HG2' ' A' ' 64' ' ' LYS . 8.7 t -60.67 176.98 0.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 -178.41 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.769 ' HG2' HG23 ' A' ' 63' ' ' THR . 75.8 mmtt 59.93 19.09 8.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.014 178.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 36.64 69.81 0.19 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.068 174.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 76' ' ' TYR . 2.0 mm? -110.39 -23.11 11.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 169.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.711 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 6.1 p90 -67.15 169.58 8.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -177.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.701 ' HB3' ' H ' ' A' ' 70' ' ' LYS . 4.3 t0 -50.06 -31.28 12.68 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -175.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . 21.7 mt-10 66.16 4.53 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.255 -162.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' H ' ' HB3' ' A' ' 68' ' ' ASP . 75.3 mmtt -100.67 -64.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.063 178.214 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.486 ' HG3' ' HB3' ' A' ' 73' ' ' HIS . 4.4 pt20 -128.41 13.43 6.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -179.75 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG2' ' CE2' ' A' ' 67' ' ' TYR . 44.2 mt-30 55.22 16.48 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 177.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 93' ' ' VAL . 49.6 t-80 -101.48 -59.44 1.7 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.769 -178.54 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.1 mm -79.43 98.53 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.802 0.334 . . . . 0.0 110.464 175.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.75 HG21 HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -100.6 103.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.194 0.521 . . . . 0.0 110.873 -176.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.75 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 13.9 m-85 -71.05 148.48 47.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.08 -177.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 21.1 p -162.81 57.49 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.949 179.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.1 t -75.14 -7.07 52.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.803 178.51 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -161.85 70.74 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.755 179.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -145.93 170.73 16.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.76 HD22 ' HG2' ' A' ' 36' ' ' LYS . 60.7 mt -65.91 -37.48 86.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.905 0.383 . . . . 0.0 110.308 173.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.09 -30.27 25.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.906 166.114 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.23 94.65 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.525 177.217 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' A' ' 81' ' ' LEU . 10.0 m-20 -50.29 -30.34 11.69 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.892 0.377 . . . . 0.0 110.516 173.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.707 HD11 ' HG ' ' A' ' 37' ' ' LEU . 81.8 mt -74.54 -83.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.15 172.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.745 ' HB3' HG23 ' A' ' 88' ' ' VAL . 6.0 m-85 -79.9 -59.83 2.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.0 -169.015 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 101.83 -26.15 25.43 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.236 -174.443 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG23 ' HB3' ' A' ' 86' ' ' PHE . 1.5 t -51.27 145.7 13.1 Favored Pre-proline 0 N--CA 1.451 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 111.637 179.625 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 88' ' ' VAL . 24.7 Cg_endo -60.47 -16.34 41.47 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.402 2.068 . . . . 0.0 112.491 166.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.75 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 64.2 p -169.77 141.64 2.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.253 -179.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.65 ' CD2' HD11 ' A' ' 99' ' ' ILE . 49.3 p90 -135.24 165.96 24.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.035 0.445 . . . . 0.0 111.372 174.153 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.6 t -89.5 -171.39 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.587 -177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.527 HG21 ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -155.46 -29.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 -168.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 73' ' ' HIS . 35.0 mmtp -85.36 -24.74 27.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.53 ' HG3' ' HB ' ' A' ' 99' ' ' ILE . 10.6 pt-20 -83.58 48.87 1.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.647 175.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.838 ' HA ' HG22 ' A' ' 99' ' ' ILE . 0.6 OUTLIER -55.52 -18.27 6.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.609 -174.257 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.689 ' HG3' ' H ' ' A' ' 98' ' ' LYS . 22.0 ptt180 -54.91 -68.34 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.006 0.432 . . . . 0.0 110.593 171.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.692 ' O ' ' HG3' ' A' ' 102' ' ' MET . 75.6 mmtt -70.74 -54.74 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.874 178.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.838 HG22 ' HA ' ' A' ' 96' ' ' HIS . 0.3 OUTLIER -52.05 -28.4 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.545 -170.439 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.554 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 11.2 m-30 -86.34 -41.07 14.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.495 177.416 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.675 HG22 ' HA ' ' A' ' 98' ' ' LYS . 6.0 t -66.82 -7.0 18.35 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.902 177.064 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.692 ' HG3' ' O ' ' A' ' 98' ' ' LYS . 32.6 mtm -93.11 -40.5 10.46 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.467 170.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.705 HD13 ' HG ' ' A' ' 57' ' ' LEU . 57.2 mt -47.59 -43.31 9.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.988 177.061 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -102.51 97.13 7.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.065 -176.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -141.06 130.44 23.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.685 178.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.5 m120 57.5 -150.72 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.742 -178.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.1 mt 67.05 175.75 0.25 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.927 0.394 . . . . 0.0 110.96 176.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.2 t -94.83 98.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.324 -175.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.717 HG23 ' H ' ' A' ' 111' ' ' ASN . 27.0 m -87.21 -159.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 174.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.633 ' H ' HG23 ' A' ' 26' ' ' THR . 14.3 p -63.99 -26.9 41.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.717 ' H ' HG23 ' A' ' 109' ' ' VAL . 46.5 t30 63.91 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.061 -179.595 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 62.96 -82.15 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.148 179.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -58.35 147.32 31.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.8 83.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -178.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.5 m -153.86 41.43 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.7 t 57.44 56.95 4.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.9 t70 56.82 87.23 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.036 179.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.7 t 60.72 177.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.053 178.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 72.0 p . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.97 -179.81 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.8 m -140.15 93.51 2.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -115.56 105.57 12.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -88.74 136.18 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -97.31 35.6 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.5 mtp 57.41 80.23 0.17 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.055 -179.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 t 57.19 89.3 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.007 -179.694 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.69 110.94 2.87 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.17 -52.26 1.23 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.671 2.247 . . . . 0.0 112.174 -179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.0 t -166.14 -27.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -96.72 135.43 38.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.51 -89.46 0.61 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.26 -175.82 3.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' H ' ' A' ' 15' ' ' THR . 8.1 p -91.84 -139.85 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.788 ' H ' HG22 ' A' ' 14' ' ' VAL . 5.6 t 36.0 62.77 0.64 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.132 0.492 . . . . 0.0 111.866 -176.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' GLN . 76.8 p -98.25 63.45 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 177.429 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.8 p 48.88 -89.23 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.51 -178.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' THR . 8.7 tt0 -157.57 -63.29 0.09 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-O 121.453 0.644 . . . . 0.0 109.854 178.31 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -115.26 135.13 22.5 Favored Pre-proline 0 N--CA 1.44 -0.956 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.134 -149.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 19' ' ' ILE . 54.5 Cg_endo -96.12 56.89 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.738 2.959 . . . . 0.0 112.662 -170.043 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 19' ' ' ILE . . . -165.56 20.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' A' ' 100' ' ' TYR . 34.3 t -149.94 -27.45 0.25 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.752 178.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' OE1' ' A' ' 24' ' ' GLN . 12.5 mm-40 -59.79 -69.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 177.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' OE1' ' HB3' ' A' ' 23' ' ' GLU . 23.8 mp0 -140.39 134.16 30.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.015 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' CD ' ' HG3' ' A' ' 50' ' ' MET . 5.6 pt-20 -179.7 -46.71 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.384 -177.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.631 HG21 HG23 ' A' ' 109' ' ' VAL . 22.2 m -144.03 169.55 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.323 -162.34 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -129.42 124.64 34.64 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 148.233 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.633 ' H ' HD23 ' A' ' 27' ' ' LEU . 2.2 t -105.94 146.42 12.73 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.467 -155.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -137.24 82.04 30.28 Favored Pre-proline 0 N--CA 1.441 -0.918 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.83 -172.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -95.37 -179.89 0.59 Allowed 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.272 2.648 . . . . 0.0 112.831 -168.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 32' ' ' PRO . 96.2 mttt -93.62 161.8 29.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.388 172.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.66 ' HA ' HD23 ' A' ' 35' ' ' LEU . 5.9 Cg_endo -47.94 97.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.783 2.322 . . . . 0.0 112.28 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.552 ' C ' HD22 ' A' ' 34' ' ' LEU . 27.5 tp -172.18 -17.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 -174.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 85' ' ' LEU . 4.3 mm? -129.25 -5.09 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 177.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD12 ' CE2' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -100.48 -39.78 7.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.48 -172.548 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.2 mmmp? -59.52 -7.23 1.34 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 163.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.716 ' HB2' HD12 ' A' ' 81' ' ' LEU . 6.8 tt -106.35 -19.64 13.63 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.479 -176.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 3.9 mp -116.0 -47.44 2.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.294 -175.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.499 ' HE2' ' CB ' ' A' ' 35' ' ' LEU . 45.7 mtmt -53.66 -18.95 3.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.025 0.441 . . . . 0.0 110.606 172.029 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.6 m -71.69 -53.17 14.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.053 173.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.05 -39.94 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.617 178.197 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 140.06 16.31 0.5 Allowed Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.978 -174.633 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB1' ' HE1' ' A' ' 48' ' ' TYR . . . -60.51 -164.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.01 0.433 . . . . 0.0 111.657 177.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -177.69 79.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.837 -171.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 48' ' ' TYR . 39.4 mtpt -35.97 -101.17 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.712 -160.039 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 50.25 48.21 22.55 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -152.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 p 58.85 -169.21 0.13 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.007 -163.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.714 ' CE2' HD12 ' A' ' 35' ' ' LEU . 51.9 m-85 -149.71 141.38 23.55 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.846 -174.008 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -94.87 -173.45 2.99 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.552 -178.415 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.658 ' H ' HG22 ' A' ' 49' ' ' THR . 90.6 mmm -85.18 -23.6 28.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.983 176.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.576 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -87.06 -36.2 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 176.712 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.5 tp10 -56.4 -54.91 40.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.264 171.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 23.9 m -68.22 -24.56 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.401 176.781 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 51' ' ' LYS . 48.9 tp -52.13 -70.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 177.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 27.7 p90 -71.06 -36.82 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.818 -176.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.757 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -63.58 -50.72 68.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.689 -176.75 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -52.25 -49.16 64.59 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.618 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 62' ' ' MET . . . -49.3 -39.78 28.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.484 171.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' PHE . 20.5 mm-40 -61.33 -61.94 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.741 0.305 . . . . 0.0 110.768 178.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.434 ' CE1' ' HG3' ' A' ' 64' ' ' LYS . 78.7 t80 -56.57 -35.47 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.407 -173.449 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.799 HD12 ' HZ ' ' A' ' 91' ' ' PHE . 4.5 mm -57.39 -42.86 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.209 0.528 . . . . 0.0 110.675 173.38 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 23.3 ptp -96.33 12.57 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.177 -179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.552 HG22 ' N ' ' A' ' 64' ' ' LYS . 21.1 m -124.72 166.59 15.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 177.196 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' N ' HG22 ' A' ' 63' ' ' THR . 47.1 mmtm 67.85 25.0 7.97 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.081 177.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 58.65 66.07 1.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.204 178.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.578 HD21 ' OD1' ' A' ' 80' ' ' ASP . 1.7 mp -121.78 -148.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.715 -177.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.933 ' HA ' ' HA ' ' A' ' 75' ' ' VAL . 24.2 p90 47.67 -178.83 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 112.097 177.242 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 42.7 t0 -67.82 -101.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.598 -179.464 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' HA ' ' HE1' ' A' ' 67' ' ' TYR . 40.8 tt0 175.63 -33.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.727 0.299 . . . . 0.0 110.865 177.515 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG3' ' H ' ' A' ' 71' ' ' GLN . 20.9 ptmt -89.64 -47.79 7.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.197 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 50.2 mt-30 -128.8 128.92 44.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.013 163.349 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.538 ' HG3' ' CE1' ' A' ' 67' ' ' TYR . 0.7 OUTLIER -79.13 62.1 3.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.833 -171.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 94' ' ' LYS . 14.7 p-80 -136.35 -17.32 1.55 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -177.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' HB ' ' HB2' ' A' ' 68' ' ' ASP . 17.6 mm -103.25 100.89 11.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.201 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.439 171.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.933 ' HA ' ' HA ' ' A' ' 67' ' ' TYR . 2.1 t -97.79 95.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.606 -164.158 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 89' ' ' PRO . 2.5 m-85 -71.03 88.14 0.76 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.561 173.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.17 49.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.083 -169.533 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.6 p -66.76 124.79 23.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.678 175.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 56.54 65.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.045 0.45 . . . . 0.0 110.557 -174.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.578 ' OD1' HD21 ' A' ' 66' ' ' LEU . 23.7 t0 -134.67 156.58 48.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.786 -174.23 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD12 ' HB2' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.26 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.042 0.448 . . . . 0.0 110.204 174.218 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.613 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -56.23 -22.62 30.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.999 170.456 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.91 -40.14 89.26 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.266 173.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.567 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.7 m-20 -54.01 -26.65 27.32 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.761 0.315 . . . . 0.0 110.607 172.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.861 HD11 HD11 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.36 -83.35 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 172.01 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.633 ' CZ ' ' HG3' ' A' ' 102' ' ' MET . 9.6 m-30 -96.37 -44.84 7.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.09 -168.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.36 5.4 67.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.392 -177.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 91' ' ' PHE . 34.7 m -56.65 159.06 7.39 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.764 0.316 . . . . 0.0 111.227 -179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.663 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 67.7 Cg_endo -72.62 -40.24 2.18 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.241 1.961 . . . . 0.0 111.607 162.043 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.656 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 58.8 p -148.59 141.44 24.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.736 177.202 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' HZ ' HD12 ' A' ' 61' ' ' ILE . 55.0 p90 -131.42 161.05 33.34 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.93 0.395 . . . . 0.0 111.334 176.451 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 41.7 t -103.14 103.03 13.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.141 -173.359 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.654 HG11 HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -79.61 0.05 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.081 172.909 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.639 ' HB2' ' HB2' ' A' ' 73' ' ' HIS . 62.9 tttp -83.25 -30.39 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -178.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' SER . 15.1 pt-20 -76.03 -43.19 45.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -178.627 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 52.0 m80 71.32 -67.53 0.25 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.643 175.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' N ' HG13 ' A' ' 19' ' ' ILE . 79.3 ttt180 -47.02 -52.2 15.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 111.193 -178.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.699 ' O ' ' HG2' ' A' ' 102' ' ' MET . 37.9 mtmm -77.25 -38.9 50.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 -176.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.777 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 0.3 OUTLIER -64.97 -35.28 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.086 -174.781 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.501 ' CD1' HD12 ' A' ' 103' ' ' ILE . 5.4 m-30 -85.61 -35.82 20.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.469 -178.516 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 98' ' ' LYS . 14.9 t -66.59 -23.91 66.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.113 -178.163 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.777 ' HE3' ' HA ' ' A' ' 99' ' ' ILE . 20.2 ptt? -94.45 -21.38 18.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.114 176.368 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 99' ' ' ILE . 16.8 mt -52.42 -44.82 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.806 165.149 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.505 ' HE2' HG11 ' A' ' 28' ' ' VAL . 89.2 m-85 -99.05 121.91 41.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.045 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -140.43 -26.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -90.07 168.18 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.789 179.506 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 49.8 tp -78.88 81.84 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.812 -178.193 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 m -137.45 26.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.048 178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.631 HG23 HG21 ' A' ' 26' ' ' THR . 8.5 p -131.58 152.64 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.878 -178.135 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 26' ' ' THR . 8.8 p -54.87 138.71 14.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.277 -178.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.3 p30 -92.58 154.3 18.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 -178.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.59 132.91 39.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 60.48 -179.49 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -91.22 34.72 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.001 -177.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.2 p -92.3 107.57 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 178.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 53.6 m -87.28 -70.59 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 54.95 47.55 21.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.0 p -88.04 -17.11 31.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.909 -179.901 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.9 t -76.26 -51.01 12.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.811 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -87.59 120.58 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p 51.03 -168.52 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -116.23 -25.38 7.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.4 mtm 62.36 -83.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.212 178.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.9 m 56.45 41.48 28.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.966 -179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.4 t -87.7 124.53 67.32 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.94 99.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.575 2.184 . . . . 0.0 112.395 -179.13 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.2 p -131.71 126.05 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.56 151.45 22.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.53 78.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.03 139.38 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.098 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.3 t -114.33 -39.1 2.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.3 m -147.18 -63.52 0.28 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.057 -179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m 57.31 95.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.244 179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 94' ' ' LYS . 91.7 p 51.61 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.272 179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -151.55 -42.33 0.11 Allowed 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.104 0.478 . . . . 0.0 110.335 -178.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 19' ' ' ILE . 44.0 pt -75.54 122.71 87.73 Favored Pre-proline 0 N--CA 1.448 -0.547 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.447 -156.22 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.89 4.67 6.42 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.608 2.206 . . . . 0.0 112.622 -176.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.16 179.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.495 -178.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.8 m 53.78 22.05 3.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.281 174.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -128.3 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.632 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -109.13 46.06 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.618 176.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' HB ' ' A' ' 26' ' ' THR . 37.6 tt0 -59.76 -66.58 0.49 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.89 -177.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' A' ' 25' ' ' GLU . 25.7 m 77.31 113.89 0.07 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.319 179.022 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -72.01 78.03 0.92 Allowed 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 177.34 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.905 HG12 ' HD3' ' A' ' 30' ' ' PRO . 39.0 t -67.73 137.79 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.74 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.134 -162.606 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 57.2 mtm180 -135.56 75.03 58.25 Favored Pre-proline 0 N--CA 1.44 -0.972 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.68 -173.708 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.905 ' HD3' HG12 ' A' ' 28' ' ' VAL . 32.2 Cg_endo -92.76 -168.53 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.338 2.692 . . . . 0.0 111.788 171.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.8 ' HB2' ' HD3' ' A' ' 32' ' ' PRO . 60.9 mttp -140.47 -58.33 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.392 176.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.858 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 70.3 Cg_endo -94.67 -28.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 122.53 2.153 . . . . 0.0 113.323 -174.44 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.858 ' HG ' ' HG2' ' A' ' 32' ' ' PRO . 75.6 mt -113.15 43.92 1.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -161.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.746 HD12 HD12 ' A' ' 37' ' ' LEU . 5.3 tp -179.06 0.47 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.353 0.596 . . . . 0.0 109.829 170.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.877 HD23 ' HE2' ' A' ' 48' ' ' TYR . 1.2 mp -133.16 -12.39 2.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.713 -164.315 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 1.4 mptm? -75.88 -6.35 50.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.977 158.591 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -95.04 -67.77 0.84 Allowed 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.117 166.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 ' HG ' ' HB3' ' A' ' 56' ' ' TYR . 6.4 mp -59.41 -56.27 24.13 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.291 -165.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 35' ' ' LEU . 66.9 mttm -50.58 -24.63 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.745 176.04 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 37' ' ' LEU . 48.4 t -86.17 -36.38 19.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.463 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -85.17 -17.48 9.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.383 -176.388 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.68 -22.85 0.13 Allowed Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.293 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB1' ' OH ' ' A' ' 48' ' ' TYR . . . -71.95 -179.42 2.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.778 0.323 . . . . 0.0 111.38 -172.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -167.02 -25.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.276 -177.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -59.62 141.03 55.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.03 -175.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -65.91 -16.55 63.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.4 p -133.82 175.09 9.77 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.123 0.487 . . . . 0.0 111.099 175.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.877 ' HE2' HD23 ' A' ' 35' ' ' LEU . 85.7 m-85 -150.12 -179.68 7.37 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.241 -176.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 HG22 HD22 ' A' ' 27' ' ' LEU . 24.1 p -138.36 165.44 26.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.59 170.098 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.542 ' O ' ' HB2' ' A' ' 54' ' ' LEU . 4.1 mmt -65.51 -14.46 61.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.54 -174.458 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 54' ' ' LEU . 27.0 ttpp -89.66 -42.71 11.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.213 0.53 . . . . 0.0 110.271 177.463 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 56' ' ' TYR . 2.1 tp10 -55.51 -61.22 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.273 169.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.651 HG13 HD11 ' A' ' 34' ' ' LEU . 55.5 t -54.11 -34.25 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.315 176.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 50' ' ' MET . 9.0 tt -47.51 -72.34 0.05 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.561 177.185 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 59' ' ' GLN . 6.1 p90 -68.32 -33.36 74.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 -176.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' HB3' ' HG ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -70.13 -62.53 1.35 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.68 -172.312 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.819 HD13 HD13 ' A' ' 37' ' ' LEU . 9.6 tp -57.98 -25.38 60.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.773 0.321 . . . . 0.0 110.311 176.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.509 ' O ' ' HG3' ' A' ' 62' ' ' MET . . . -59.46 -47.34 91.36 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.273 167.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.2 mm-40 -56.23 -47.45 78.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.846 0.355 . . . . 0.0 110.409 175.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HB3' HD12 ' A' ' 57' ' ' LEU . 44.8 t80 -54.29 -52.91 59.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.5 -175.27 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 57' ' ' LEU . 2.0 pt -65.3 -48.6 82.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 121.081 -0.248 . . . . 0.0 111.648 -178.129 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 64.3 mtt -53.04 -23.56 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.794 175.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.0 p -107.83 179.92 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.157 176.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt 58.52 14.76 3.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.341 177.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 58.29 21.44 8.23 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.234 176.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 77' ' ' CYS . 2.7 mm? -95.04 71.33 3.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.778 0.323 . . . . 0.0 110.829 171.628 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.47 ' HB3' ' O ' ' A' ' 61' ' ' ILE . 10.9 p90 -178.48 142.62 0.25 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 -177.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' OD2' ' HB2' ' A' ' 70' ' ' LYS . 36.2 t0 -61.56 133.22 55.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.62 179.253 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.75 33.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.974 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' OD2' ' A' ' 68' ' ' ASP . 97.8 mttt -116.97 -65.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 73' ' ' HIS . 17.5 mm-40 -132.5 12.95 4.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.265 -178.046 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 19.1 mp0 51.16 23.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.639 172.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 92' ' ' SER . 0.4 OUTLIER -111.23 -23.29 10.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.699 0.285 . . . . 0.0 111.157 -178.714 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG12 ' CD2' ' A' ' 73' ' ' HIS . 41.4 mm -103.46 145.77 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.232 169.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 90' ' ' SER . 13.4 t -128.16 89.1 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -171.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.67 ' HD1' ' HB3' ' A' ' 90' ' ' SER . 4.1 m-85 -67.34 119.26 11.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.872 170.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 82' ' ' LEU . 11.2 p -147.04 79.61 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.294 -172.288 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.8 p -83.95 119.57 25.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.612 173.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 58.79 68.15 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -175.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.421 ' CG ' ' HG ' ' A' ' 66' ' ' LEU . 24.2 t0 -131.22 166.56 20.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.988 -176.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 84' ' ' ASP . 3.9 mm? -60.48 -31.15 70.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.588 173.114 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' HB2' ' A' ' 85' ' ' LEU . 3.4 tm? -62.91 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.951 169.582 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 87' ' ' GLY . . . -53.93 -38.66 60.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.071 173.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 81' ' ' LEU . 9.6 m-20 -60.68 -35.49 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.829 0.347 . . . . 0.0 110.755 171.616 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.652 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -69.9 -77.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.787 179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' HE2' HD13 ' A' ' 99' ' ' ILE . 6.4 m-30 -102.46 -47.39 4.48 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.836 -176.365 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.464 ' HA2' ' HA2' ' A' ' 83' ' ' GLY . . . 99.57 12.61 40.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.268 -175.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.766 HG21 ' HB3' ' A' ' 91' ' ' PHE . 16.6 m -70.01 151.07 96.21 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 120.703 0.287 . . . . 0.0 111.252 -176.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.643 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 72.7 Cg_endo -74.74 -17.64 20.1 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.5 2.133 . . . . 0.0 111.564 164.302 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.742 ' HA ' ' O ' ' A' ' 75' ' ' VAL . 36.2 p -167.3 141.01 3.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.352 176.192 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.766 ' HB3' HG21 ' A' ' 88' ' ' VAL . 13.5 p90 -132.02 147.2 52.44 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.916 172.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 73' ' ' HIS . 25.5 p -103.22 111.59 24.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.139 -174.644 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.551 HG13 ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.81 -22.58 24.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.309 177.628 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' SER . 48.8 mmtt -51.45 -58.02 7.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -77.1 75.63 3.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 176.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.529 ' HA ' HG22 ' A' ' 99' ' ' ILE . 74.9 m80 -62.26 -32.92 73.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.013 -176.553 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 ttt180 -52.48 -62.13 1.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.916 -175.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.631 ' O ' ' HG3' ' A' ' 102' ' ' MET . 67.2 mttm -73.35 -45.7 53.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.047 -178.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.807 ' HA ' ' HE2' ' A' ' 102' ' ' MET . 0.3 OUTLIER -54.29 -31.2 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -175.295 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' ' HB ' ' A' ' 103' ' ' ILE . 14.3 m-30 -83.71 -36.86 23.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.182 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.546 ' OG1' ' HA ' ' A' ' 98' ' ' LYS . 64.8 p -72.5 -6.21 42.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.03 177.237 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.807 ' HE2' ' HA ' ' A' ' 99' ' ' ILE . 50.8 mtm -88.03 -35.01 17.8 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 163.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 99' ' ' ILE . 35.2 mt -55.16 -39.99 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.005 172.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 101' ' ' THR . 12.8 p90 -124.83 146.19 49.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.15 -174.607 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -127.88 -62.86 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.795 -179.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -169.45 -26.94 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.17 9.35 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 -177.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.0 m -141.27 35.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 179.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.9 m -119.75 -174.44 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.298 -179.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.97 154.2 8.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.03 146.07 39.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -147.65 127.79 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -92.76 132.67 36.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -151.25 120.66 6.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 52.6 m 56.3 83.95 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.079 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 46.9 t -113.82 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -147.97 -21.52 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.6 m -75.96 163.21 27.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.789 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.045 179.964 . . . . . . . . 0 0 . 1 stop_ save_