data_7c1m_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 7c1m _Structure_validation_residue.Date_analyzed 2020-08-28 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 ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.565 ' HE1' ' OE1' ' B' ' 8' ' ' GLU . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.565 ' OE1' ' HE1' ' A' ' 46' ' ' MET . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.49 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' B' ' 10' ' ' GLU . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.442 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 12' ' ' LYS . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' LYS . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.409 ' HE1' ' SD ' ' A' ' 46' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HB3' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.409 ' SD ' ' HE1' ' A' ' 34' ' ' HIS . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 9.8 tp-100 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.481 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.234 0.249 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.712 0.291 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.522 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD23 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.413 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.411 ' HB2' ' HE3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.521 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.448 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.518 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG22 HD13 ' A' ' 33' ' ' ILE . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 10.2 tp-100 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE2' ' OE2' ' B' ' 8' ' ' GLU . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 48' ' ' MET . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' C ' ' HG ' ' A' ' 25' ' ' SER . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 24' ' ' LEU . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE1' ' HG ' ' A' ' 39' ' ' LEU . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.454 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' A' ' 66' ' ' LYS . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HZ2' ' CD ' ' A' ' 63' ' ' GLU . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.037 0.446 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 5.2 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.405 HH12 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.443 ' CD ' ' HZ2' ' A' ' 66' ' ' LYS . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HZ2' ' CD ' ' A' ' 63' ' ' GLU . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.488 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 2.1 pt-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.453 ' HE2' ' O ' ' B' ' 6' ' ' GLU . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.421 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 46' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -86.98 144.23 27.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.565 ' HE1' ' OE1' ' B' ' 8' ' ' GLU . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.722 -0.151 . . . . 10.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -74.04 137.59 43.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.016 0.436 . . . . 10.0 111.176 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.88 83.21 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.885 -0.886 . . . . 10.0 110.885 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.38 170.3 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.565 ' OE1' ' HE1' ' A' ' 46' ' ' MET . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.384 -0.287 . . . . 10.0 112.384 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -68.31 129.52 40.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD12 ' HB3' ' B' ' 4' ' ' GLU . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.442 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.163 -0.375 . . . . 10.0 112.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.403 ' HB3' HD12 ' A' ' 39' ' ' LEU . 12.2 mm-40 -79.34 121.5 25.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.285 0.564 . . . . 10.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 104.74 0.19 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -94.19 160.46 14.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.011 -0.436 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -84.0 130.44 34.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' B' ' 10' ' ' GLU . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 4' ' ' GLU . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.442 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.317 -0.313 . . . . 10.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.433 ' HB3' HD12 ' A' ' 39' ' ' LEU . 26.0 mm-40 -71.33 116.47 11.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.186 0.517 . . . . 10.0 111.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.49 104.59 0.18 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.628 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 169.18 11.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 12' ' ' LYS . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.306 -0.317 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -92.4 142.94 26.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 31' ' ' LYS . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' HE1' ' SD ' ' A' ' 46' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HB3' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.409 ' SD ' ' HE1' ' A' ' 34' ' ' HIS . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 9.8 tp-100 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.997 -0.441 . . . . 10.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -76.46 136.09 39.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.074 0.464 . . . . 10.0 110.676 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.42 77.56 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.52 153.64 43.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.989 -0.445 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -98.17 128.85 44.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' HZ1' ' A' ' 8' ' ' LYS . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 112.367 -0.293 . . . . 10.0 112.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.68 122.31 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.798 0.332 . . . . 10.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.6 109.72 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.627 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -90.76 167.33 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.481 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 111.874 -0.491 . . . . 10.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -79.32 141.39 37.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.447 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.372 -0.291 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -87.71 81.25 7.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.42 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.29 120.79 5.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.929 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.83 135.14 51.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.421 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 111.682 -0.567 . . . . 10.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -107.0 142.69 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.947 0.374 . . . . 10.0 110.258 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD23 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 111.893 -0.483 . . . . 10.0 111.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -73.9 129.71 38.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 10.0 110.858 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.64 54.39 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.509 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.73 147.75 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.145 -0.382 . . . . 10.0 112.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -82.52 152.68 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.07 -0.412 . . . . 10.0 112.07 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.61 121.54 40.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.51 70.9 0.2 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.576 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -75.7 138.21 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.314 -0.314 . . . . 10.0 112.314 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -93.3 145.64 24.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.413 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.172 -0.371 . . . . 10.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.4 135.03 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.188 0.518 . . . . 10.0 111.857 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.65 100.86 0.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.375 -0.83 . . . . 10.0 111.316 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.08 157.13 24.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.411 ' HB2' ' HE3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.371 -0.292 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -112.18 136.93 50.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.46 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 111.936 -0.466 . . . . 10.0 111.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.36 134.91 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.364 . . . . 10.0 110.633 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.51 58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -75.55 126.17 30.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.049 -0.42 . . . . 10.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -81.73 128.21 33.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.518 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.521 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.426 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.19 -0.364 . . . . 10.0 112.19 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -81.41 167.15 19.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.423 0.154 . . . . 10.0 110.85 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.8 91.65 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.491 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.05 119.88 25.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.448 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.518 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.965 -0.454 . . . . 10.0 111.965 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -88.78 138.72 31.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.404 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.237 -0.345 . . . . 10.0 112.237 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.91 91.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.015 0.436 . . . . 10.0 111.107 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.76 146.35 17.63 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.46 138.11 50.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.988 -0.445 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.55 116.77 24.04 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG22 HD13 ' A' ' 33' ' ' ILE . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.583 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 10.2 tp-100 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 112.356 -0.298 . . . . 10.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -77.66 139.6 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 10.0 111.699 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.69 80.7 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -68.93 152.6 45.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.126 -0.389 . . . . 10.0 112.126 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -77.08 138.28 39.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.507 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.605 ' HE3' ' O ' ' B' ' 4' ' ' GLU . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE2' ' OE2' ' B' ' 8' ' ' GLU . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.236 0 N-CA-C 112.225 -0.35 . . . . 10.0 112.225 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.605 ' O ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -104.51 169.95 8.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.41 91.16 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.585 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.16 137.34 38.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.403 ' OE2' ' HE2' ' A' ' 48' ' ' MET . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.124 -0.39 . . . . 10.0 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -93.92 139.39 30.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' C ' ' HG ' ' A' ' 25' ' ' SER . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 24' ' ' LEU . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE1' ' HG ' ' A' ' 39' ' ' LEU . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.454 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' A' ' 66' ' ' LYS . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' HZ2' ' CD ' ' A' ' 63' ' ' GLU . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.183 -0.367 . . . . 10.0 112.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -64.7 141.19 58.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.025 0.441 . . . . 10.0 111.503 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.23 76.52 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.075 -0.81 . . . . 10.0 111.075 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 157.63 37.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.44 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -91.29 141.32 28.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.427 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.083 -0.407 . . . . 10.0 112.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.46 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 24.5 mm-40 -75.97 118.28 18.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.481 . . . . 10.0 111.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 147.63 15.39 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -149.25 122.65 9.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.124 0.462 . . . . 10.0 111.013 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.192 -0.363 . . . . 10.0 112.192 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -88.87 140.93 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 7' ' ' VAL . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' HG2' ' CG2' ' A' ' 6' ' ' THR . 5.2 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.405 HH12 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.471 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.253 -0.339 . . . . 10.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -70.47 143.75 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 10.0 110.428 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.43 66.61 0.19 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.093 -0.575 . . . . 10.0 111.859 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.84 138.69 57.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.972 -0.451 . . . . 10.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -87.04 141.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.443 ' CD ' ' HZ2' ' A' ' 66' ' ' LYS . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HZ2' ' CD ' ' A' ' 63' ' ' GLU . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 112.503 -0.239 . . . . 10.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.45 80.1 4.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.101 0.477 . . . . 10.0 111.496 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.57 61.79 0.43 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.488 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 2.1 pt-20 -64.43 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 N-CA-C 112.149 -0.38 . . . . 10.0 112.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -85.78 136.58 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.518 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.453 ' HE2' ' O ' ' B' ' 6' ' ' GLU . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.421 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 112.4 -0.28 . . . . 10.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.27 138.54 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.964 0.411 . . . . 10.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.4 93.37 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HE2' ' A' ' 46' ' ' MET . 0.3 OUTLIER -77.36 172.32 13.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 -178.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.26 131.29 36.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 112.282 -0.327 . . . . 10.0 112.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -71.69 144.03 49.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 10.0 110.837 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.01 63.2 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -63.97 159.36 20.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.545 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' SER . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 49' ' ' VAL . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' A' ' 58' ' ' LEU . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' A' ' 55' ' ' PRO . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 38' ' ' ASP . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.418 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 46' ' ' MET . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 24' ' ' LEU . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HB3' HD23 ' A' ' 36' ' ' LEU . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.505 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 60.9 tp60 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.505 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' HG12 ' A' ' 33' ' ' ILE . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' A' ' 28' ' ' ARG . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 35' ' ' PHE . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 26' ' ' VAL . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.234 0.249 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.712 0.291 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 46' ' ' MET . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.439 ' HB3' HD23 ' A' ' 36' ' ' LEU . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD22 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.463 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 48' ' ' MET . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 35' ' ' PHE . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.498 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB2' HG22 ' A' ' 26' ' ' VAL . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 46' ' ' MET . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB3' HD23 ' A' ' 36' ' ' LEU . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.52 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' A' ' 62' ' ' LEU . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 62' ' ' LEU . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 9' ' ' PHE . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 62' ' ' LEU . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' MET . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' HD12 ' A' ' 58' ' ' LEU . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 64.4 tp60 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 6' ' ' THR . 38.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 28' ' ' ARG . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 58' ' ' LEU . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.447 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.037 0.446 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' HE2' HD21 ' A' ' 62' ' ' LEU . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 6' ' ' THR . 28.3 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 58' ' ' LEU . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 62' ' ' LEU . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD21 ' HE2' ' A' ' 9' ' ' PHE . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.425 HG13 HD22 ' A' ' 58' ' ' LEU . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 48' ' ' MET . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.612 ' HG2' HD22 ' A' ' 32' ' ' LEU . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.572 ' HG2' HD22 ' A' ' 32' ' ' LEU . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 33' ' ' ILE . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -86.98 144.23 27.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.545 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 4' ' ' GLU . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' SER . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 49' ' ' VAL . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.722 -0.151 . . . . 10.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.9 mm-40 -74.04 137.59 43.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.016 0.436 . . . . 10.0 111.176 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.88 83.21 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.885 -0.886 . . . . 10.0 110.885 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.38 170.3 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.384 -0.287 . . . . 10.0 112.384 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -68.31 129.52 40.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' B' ' 4' ' ' GLU . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.163 -0.375 . . . . 10.0 112.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.641 ' HB3' HD13 ' A' ' 39' ' ' LEU . 12.2 mm-40 -79.34 121.5 25.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.285 0.564 . . . . 10.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 104.74 0.19 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -94.19 160.46 14.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.011 -0.436 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -84.0 130.44 34.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 4' ' ' GLU . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' A' ' 58' ' ' LEU . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' A' ' 55' ' ' PRO . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.317 -0.313 . . . . 10.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.476 ' HB3' HD13 ' A' ' 39' ' ' LEU . 26.0 mm-40 -71.33 116.47 11.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.186 0.517 . . . . 10.0 111.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.49 104.59 0.18 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.628 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 169.18 11.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.306 -0.317 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -92.4 142.94 26.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 38' ' ' ASP . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 46' ' ' MET . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 24' ' ' LEU . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HB3' HD23 ' A' ' 36' ' ' LEU . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.505 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 60.9 tp60 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.997 -0.441 . . . . 10.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -76.46 136.09 39.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.074 0.464 . . . . 10.0 110.676 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.42 77.56 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.52 153.64 43.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.505 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.989 -0.445 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -98.17 128.85 44.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' HG12 ' A' ' 33' ' ' ILE . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' A' ' 28' ' ' ARG . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 112.367 -0.293 . . . . 10.0 112.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.68 122.31 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.798 0.332 . . . . 10.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.6 109.72 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.627 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -90.76 167.33 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 111.874 -0.491 . . . . 10.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -79.32 141.39 37.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 35' ' ' PHE . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 26' ' ' VAL . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' B' ' 4' ' ' GLU . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.372 -0.291 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 39' ' ' LEU . 1.5 mm-40 -87.71 81.25 7.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.42 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.29 120.79 5.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.929 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.83 135.14 51.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 111.682 -0.567 . . . . 10.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -107.0 142.69 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.947 0.374 . . . . 10.0 110.258 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 46' ' ' MET . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.439 ' HB3' HD23 ' A' ' 36' ' ' LEU . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD22 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 111.893 -0.483 . . . . 10.0 111.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -73.9 129.71 38.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 10.0 110.858 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.64 54.39 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.509 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 5.2 pt-20 -77.73 147.75 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.145 -0.382 . . . . 10.0 112.145 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -82.52 152.68 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.07 -0.412 . . . . 10.0 112.07 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.61 121.54 40.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.51 70.9 0.2 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.576 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -75.7 138.21 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.314 -0.314 . . . . 10.0 112.314 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -93.3 145.64 24.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.172 -0.371 . . . . 10.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.4 135.03 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.188 0.518 . . . . 10.0 111.857 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.65 100.86 0.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.375 -0.83 . . . . 10.0 111.316 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.08 157.13 24.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.371 -0.292 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -112.18 136.93 50.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 111.936 -0.466 . . . . 10.0 111.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.36 134.91 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.364 . . . . 10.0 110.633 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.51 58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 6' ' ' GLU . 1.5 pm0 -75.55 126.17 30.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 48' ' ' MET . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.049 -0.42 . . . . 10.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -81.73 128.21 33.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 35' ' ' PHE . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.498 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB2' HG22 ' A' ' 26' ' ' VAL . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 46' ' ' MET . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB3' HD23 ' A' ' 36' ' ' LEU . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.19 -0.364 . . . . 10.0 112.19 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -81.41 167.15 19.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.423 0.154 . . . . 10.0 110.85 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.8 91.65 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.491 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.05 119.88 25.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.52 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.965 -0.454 . . . . 10.0 111.965 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -88.78 138.72 31.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' A' ' 62' ' ' LEU . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 62' ' ' LEU . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 9' ' ' PHE . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.237 -0.345 . . . . 10.0 112.237 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.91 91.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.015 0.436 . . . . 10.0 111.107 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.76 146.35 17.63 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.46 138.11 50.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.988 -0.445 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.55 116.77 24.04 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 62' ' ' LEU . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' MET . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' HD12 ' A' ' 58' ' ' LEU . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 64.4 tp60 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 112.356 -0.298 . . . . 10.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -77.66 139.6 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 10.0 111.699 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.69 80.7 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -68.93 152.6 45.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.126 -0.389 . . . . 10.0 112.126 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -77.08 138.28 39.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 6' ' ' THR . 38.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 28' ' ' ARG . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HE3' ' O ' ' B' ' 4' ' ' GLU . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.236 0 N-CA-C 112.225 -0.35 . . . . 10.0 112.225 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.608 ' O ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -104.51 169.95 8.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.41 91.16 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.585 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.16 137.34 38.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.124 -0.39 . . . . 10.0 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -93.92 139.39 30.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 58' ' ' LEU . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.183 -0.367 . . . . 10.0 112.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -64.7 141.19 58.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.025 0.441 . . . . 10.0 111.503 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.23 76.52 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.075 -0.81 . . . . 10.0 111.075 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 157.63 37.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.447 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -91.29 141.32 28.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.083 -0.407 . . . . 10.0 112.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.472 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 24.5 mm-40 -75.97 118.28 18.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.481 . . . . 10.0 111.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 147.63 15.39 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -149.25 122.65 9.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.124 0.462 . . . . 10.0 111.013 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.192 -0.363 . . . . 10.0 112.192 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -88.87 140.93 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' HE2' HD21 ' A' ' 62' ' ' LEU . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 6' ' ' THR . 28.3 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 58' ' ' LEU . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 62' ' ' LEU . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD21 ' HE2' ' A' ' 9' ' ' PHE . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.253 -0.339 . . . . 10.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -70.47 143.75 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 10.0 110.428 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.43 66.61 0.19 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.093 -0.575 . . . . 10.0 111.859 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.84 138.69 57.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.972 -0.451 . . . . 10.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -87.04 141.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.425 HG13 HD22 ' A' ' 58' ' ' LEU . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 48' ' ' MET . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HZ3' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.612 ' HG2' HD22 ' A' ' 32' ' ' LEU . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 112.503 -0.239 . . . . 10.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.45 80.1 4.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.101 0.477 . . . . 10.0 111.496 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.57 61.79 0.43 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.456 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 2.1 pt-20 -64.43 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 N-CA-C 112.149 -0.38 . . . . 10.0 112.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -85.78 136.58 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 112.4 -0.28 . . . . 10.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.27 138.54 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.964 0.411 . . . . 10.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.4 93.37 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 172.32 13.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 -178.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.26 131.29 36.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 4' ' ' GLU . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.572 ' HG2' HD22 ' A' ' 32' ' ' LEU . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 33' ' ' ILE . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 112.282 -0.327 . . . . 10.0 112.282 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.656 ' HB3' HD13 ' A' ' 39' ' ' LEU . 47.5 mm-40 -71.69 144.03 49.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 10.0 110.837 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.01 63.2 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -63.97 159.36 20.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.545 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' SER . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 49' ' ' VAL . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' A' ' 58' ' ' LEU . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' A' ' 55' ' ' PRO . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 38' ' ' ASP . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.418 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 46' ' ' MET . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 24' ' ' LEU . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.421 ' HB3' HD23 ' A' ' 36' ' ' LEU . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.505 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 9.8 tp-100 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.235 0.336 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.505 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' HG12 ' A' ' 33' ' ' ILE . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' A' ' 28' ' ' ARG . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 35' ' ' PHE . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 26' ' ' VAL . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.234 0.249 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.712 0.291 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' HB ' HE21 ' A' ' 65' ' ' GLN . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 46' ' ' MET . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.439 ' HB3' HD23 ' A' ' 36' ' ' LEU . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD22 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.463 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.404 HE21 ' HB ' ' A' ' 23' ' ' ILE . 12.5 mm100 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--O 1.233 0.209 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 48' ' ' MET . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 35' ' ' PHE . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.498 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB2' HG22 ' A' ' 26' ' ' VAL . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 46' ' ' MET . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB3' HD23 ' A' ' 36' ' ' LEU . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.52 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' A' ' 62' ' ' LEU . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 62' ' ' LEU . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 9' ' ' PHE . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.234 0.282 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 62' ' ' LEU . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' MET . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' HD12 ' A' ' 58' ' ' LEU . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 10.2 tp-100 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 6' ' ' THR . 6.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 28' ' ' ARG . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 74.4 t60 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 58' ' ' LEU . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.447 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.037 0.446 . . . . 10.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' HE2' HD21 ' A' ' 62' ' ' LEU . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 6' ' ' THR . 5.2 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.514 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 58' ' ' LEU . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 62' ' ' LEU . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.555 HD21 ' HE2' ' A' ' 9' ' ' PHE . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.425 HG13 HD22 ' A' ' 58' ' ' LEU . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 48' ' ' MET . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.612 ' HG2' HD22 ' A' ' 32' ' ' LEU . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.234 0.266 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.572 ' HG2' HD22 ' A' ' 32' ' ' LEU . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 33' ' ' ILE . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -86.98 144.23 27.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.012 0.434 . . . . 10.0 110.411 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.58 13.34 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 10.0 109.933 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.3 mmm -99.29 175.81 5.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.164 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.19 135.16 34.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.928 0.394 . . . . 10.0 110.711 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 145.15 25.91 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.997 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.6 t -115.79 127.87 73.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -90.96 129.39 36.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.577 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -120.37 135.89 54.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.565 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.37 83.69 7.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.549 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -77.44 98.69 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.969 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 55.35 19.79 3.23 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 -22.16 11.18 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 10.0 112.017 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.61 148.67 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.298 -0.63 . . . . 10.0 109.298 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -98.82 102.76 14.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.891 0.377 . . . . 10.0 110.821 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -100.89 161.62 13.47 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -140.6 115.73 9.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.957 0.408 . . . . 10.0 110.664 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.11 138.49 47.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.174 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -72.95 145.34 46.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.5 tt -58.7 -28.66 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 111.924 0.342 . . . . 10.0 111.924 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.7 p -76.62 -15.41 59.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 10.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -91.67 -22.4 20.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.399 . . . . 10.0 110.442 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.0 mt -67.68 118.3 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.16 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.4 mt -83.9 -63.54 1.33 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.958 -0.564 . . . . 10.0 111.025 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -150.58 133.09 15.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.116 -0.493 . . . . 10.0 111.765 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.2 t -107.07 137.41 38.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.2 -0.667 . . . . 10.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.62 107.66 0.69 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 121.007 -0.616 . . . . 10.0 112.19 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -79.06 116.79 19.57 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.032 -0.359 . . . . 10.0 110.032 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.02 1.4 56.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.988 0.423 . . . . 10.0 110.64 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.38 -99.69 0.45 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.011 -0.836 . . . . 10.0 111.011 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -82.48 -27.99 31.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.417 0.627 . . . . 10.0 109.339 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.37 130.06 54.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.248 -0.887 . . . . 10.0 110.286 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 48' ' ' MET . 5.5 mt -110.1 110.46 32.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.522 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.81 145.08 25.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.781 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -146.15 146.15 30.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.063 0.459 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 39.9 mt -108.77 131.39 55.0 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.744 -0.836 . . . . 10.0 108.744 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.545 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.1 p90 -132.21 143.07 49.68 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.39 -0.524 . . . . 10.0 111.328 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -86.5 125.13 33.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.606 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 4' ' ' GLU . 3.1 tt -97.71 -69.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.037 -179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.44 161.65 10.63 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.17 19.17 63.21 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.55 -0.833 . . . . 10.0 111.832 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.29 -23.24 22.55 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.147 -0.549 . . . . 10.0 112.496 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.69 161.69 14.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.119 0.485 . . . . 10.0 110.954 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -132.37 -173.09 3.06 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.494 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.22 178.72 18.76 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.015 -0.612 . . . . 10.0 111.681 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -152.91 159.24 42.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 10.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.13 171.75 33.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.011 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 23.1 ttp -151.26 121.59 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.07 -0.344 . . . . 10.0 110.07 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' SER . 9.4 p -117.79 169.03 8.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.046 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 49' ' ' VAL . 49.2 p -98.15 164.63 12.25 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.649 0.261 . . . . 10.0 110.664 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.12 -31.41 70.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.015 0.436 . . . . 10.0 110.916 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -76.12 -37.33 58.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.573 . . . . 10.0 111.442 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -75.76 -35.5 60.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.64 119.76 78.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 111.633 0.234 . . . . 10.0 111.633 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.74 141.2 77.92 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.757 2.304 . . . . 10.0 111.251 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -51.46 -42.63 61.73 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.758 0.651 . . . . 10.0 112.758 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.31 -38.62 77.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.195 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.73 -29.75 23.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.238 0.542 . . . . 10.0 110.056 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.55 -38.16 88.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -66.71 -31.64 72.43 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.063 0.459 . . . . 10.0 109.848 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.8 mtp -70.01 -33.08 71.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.078 -0.712 . . . . 10.0 109.078 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.94 -24.48 62.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.357 -0.838 . . . . 10.0 110.022 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -71.21 -33.82 70.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -72.84 -28.91 62.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.398 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -97.79 10.77 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.951 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -73.19 107.94 5.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.176 0.512 . . . . 10.0 110.57 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.693 -179.053 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.722 -0.151 . . . . 10.0 112.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.9 mm-40 -74.04 137.59 43.5 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.016 0.436 . . . . 10.0 111.176 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.88 83.21 0.11 Allowed Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 110.885 -0.886 . . . . 10.0 110.885 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -85.38 170.3 12.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 10.0 111.969 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -137.9 140.2 40.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.413 -0.812 . . . . 10.0 110.595 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.71 -169.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 10.0 109.177 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.34 68.31 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.144 -0.782 . . . . 10.0 111.144 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -96.33 132.42 41.83 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.812 0.339 . . . . 10.0 110.895 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -78.59 104.89 9.5 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.764 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.384 -0.287 . . . . 10.0 112.384 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -68.31 129.52 40.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.868 0.366 . . . . 10.0 110.317 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -104.71 27.24 8.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.201 0.525 . . . . 10.0 110.223 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.9 mmm -95.75 -161.81 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 10.0 109.975 179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.0 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.622 0.249 . . . . 10.0 110.434 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.15 133.41 49.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.917 0.389 . . . . 10.0 111.296 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.9 t -114.8 137.62 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -108.16 119.43 39.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.969 0.414 . . . . 10.0 110.273 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -103.35 143.27 32.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.555 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -110.65 58.66 0.61 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.265 0.555 . . . . 10.0 109.883 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -75.52 132.91 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.409 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 59.45 16.85 5.5 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.655 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.13 -5.93 82.82 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.13 -0.557 . . . . 10.0 112.426 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -98.64 141.88 30.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.938 0.399 . . . . 10.0 110.425 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.33 115.9 25.06 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.12 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -116.74 138.46 51.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.017 -0.538 . . . . 10.0 109.598 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -105.32 120.29 41.19 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.159 0.504 . . . . 10.0 111.718 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -129.75 135.98 60.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.14 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.88 148.65 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.2 tt -61.59 -26.47 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.548 0.213 . . . . 10.0 111.517 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 p -76.92 -13.56 59.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.089 0.471 . . . . 10.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -95.7 -18.89 20.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.549 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -72.73 117.63 16.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.907 0.384 . . . . 10.0 110.648 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 80.6 mt -80.59 -65.71 0.97 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.485 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -149.1 137.81 21.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.842 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.8 t -104.5 122.68 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.985 -0.552 . . . . 10.0 109.893 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.4 115.15 3.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.252 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 48.9 ttt-85 -92.35 112.08 23.89 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.796 0.331 . . . . 10.0 110.345 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.46 14.43 14.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 10.0 110.394 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 119.53 -92.07 0.52 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.271 -0.732 . . . . 10.0 111.271 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 50' ' ' SER . 9.2 mmpt? -93.72 -32.73 13.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.198 -0.667 . . . . 10.0 109.198 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' HB3' ' SD ' ' A' ' 48' ' ' MET . 36.4 mt -98.31 118.11 34.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.342 -0.845 . . . . 10.0 109.836 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 48' ' ' MET . 14.4 mt -103.21 113.8 41.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.166 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 72.4 t60 -108.28 130.31 55.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.318 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -128.52 157.6 40.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.125 0.488 . . . . 10.0 111.155 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 mt -116.93 134.02 55.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.479 -0.782 . . . . 10.0 109.094 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -129.42 145.4 51.42 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.674 -0.411 . . . . 10.0 111.425 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -82.55 108.28 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.138 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' B' ' 4' ' ' GLU . 1.0 OUTLIER -84.41 -51.42 6.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.776 -179.035 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.89 159.0 8.16 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.565 -0.826 . . . . 10.0 112.126 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.24 16.69 64.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.749 -0.738 . . . . 10.0 111.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.87 -13.56 62.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.891 -0.671 . . . . 10.0 112.803 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 159.69 16.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.049 0.452 . . . . 10.0 110.644 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.25 173.74 8.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.062 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.2 167.44 15.45 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 111.336 -0.706 . . . . 10.0 111.336 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.493 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.9 ptt? -137.79 152.77 49.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 117.026 0.413 . . . . 10.0 111.2 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.14 146.33 13.83 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.953 -0.642 . . . . 10.0 111.826 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' SD ' ' HB3' ' A' ' 32' ' ' LEU . 30.4 ttp -130.31 134.37 47.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.044 0.45 . . . . 10.0 111.395 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.9 p -138.79 151.59 24.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.02 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 54.3 p -86.41 164.79 16.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.713 0.292 . . . . 10.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.41 -16.67 63.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.003 0.43 . . . . 10.0 110.509 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.32 -45.47 14.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.796 -0.638 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -75.04 -31.44 61.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.304 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.28 116.94 66.49 Favored Pre-proline 0 C--N 1.326 -0.425 0 C-N-CA 121.156 -0.218 . . . . 10.0 110.806 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.03 145.68 73.44 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.932 2.422 . . . . 10.0 112.23 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -53.71 -41.71 67.28 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.14 0.422 . . . . 10.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -64.13 -49.82 70.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.828 0.347 . . . . 10.0 110.808 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 52.7 mt -64.67 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 10.0 110.585 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.54 -33.48 76.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -66.18 -34.96 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.253 -0.647 . . . . 10.0 109.253 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -70.88 -34.42 71.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.481 -0.782 . . . . 10.0 109.638 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 56.3 mt -69.1 -30.16 68.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.727 -0.67 . . . . 10.0 110.24 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -63.74 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.198 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -72.07 -27.08 62.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.567 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -102.46 10.31 39.03 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.953 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -77.63 99.13 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.591 -0.522 . . . . 10.0 109.591 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.3 mttt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.833 -178.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.163 -0.375 . . . . 10.0 112.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.641 ' HB3' HD13 ' A' ' 39' ' ' LEU . 12.2 mm-40 -79.34 121.5 25.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.285 0.564 . . . . 10.0 110.989 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.04 104.74 0.19 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.996 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -94.19 160.46 14.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.743 0.306 . . . . 10.0 110.864 -179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -116.81 148.93 40.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.866 -0.606 . . . . 10.0 109.771 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -123.53 -131.37 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.473 -0.331 . . . . 10.0 111.078 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.53 96.35 2.13 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.056 -0.592 . . . . 10.0 112.251 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.07 131.99 55.28 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.55 105.13 6.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.287 -0.415 . . . . 10.0 109.919 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.733 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 112.011 -0.436 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -84.0 130.44 34.88 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -91.88 14.03 16.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.091 0.472 . . . . 10.0 110.063 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.1 mmm -95.79 169.72 9.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.527 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.1 145.51 35.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.568 -0.287 . . . . 10.0 110.832 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.15 131.85 56.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.525 -0.307 . . . . 10.0 110.371 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 t -109.81 140.12 30.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.808 0.337 . . . . 10.0 110.716 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -103.77 138.66 40.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.941 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -125.88 145.55 50.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.848 -179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -102.69 57.33 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.246 0.546 . . . . 10.0 110.043 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.02 117.47 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.204 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt 60.02 18.67 7.83 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.729 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.71 13.65 69.45 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.453 -0.88 . . . . 10.0 112.095 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.8 139.3 39.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.01 -0.367 . . . . 10.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -78.62 88.58 4.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 10.0 111.185 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -98.44 150.01 22.09 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -134.24 131.15 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.649 -0.251 . . . . 10.0 110.341 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.8 t -136.08 134.49 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.763 -0.199 . . . . 10.0 110.693 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.28 143.01 56.67 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.8 tt -61.64 -24.57 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.6 p -80.04 -17.51 52.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.03 0.443 . . . . 10.0 110.732 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.21 -18.69 26.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.224 0.535 . . . . 10.0 109.878 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.9 mt -75.81 125.83 35.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.589 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 mt -88.66 -69.21 0.72 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.953 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -140.64 148.29 40.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.337 -0.392 . . . . 10.0 111.202 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.2 t -117.73 128.78 74.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.927 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.37 126.31 6.71 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.011 -0.614 . . . . 10.0 112.23 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -98.5 115.19 28.02 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.662 -0.317 . . . . 10.0 110.789 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -89.82 -6.72 55.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.644 0.735 . . . . 10.0 109.488 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 138.03 -107.46 0.58 Allowed Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.759 -1.336 . . . . 10.0 109.759 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 20.5 mmtt -82.64 -16.49 48.11 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -109.68 121.77 45.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.3 -0.863 . . . . 10.0 109.456 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 48' ' ' MET . 64.1 mt -107.6 123.76 63.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.143 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 71.5 t60 -115.25 126.05 54.07 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.446 -0.575 . . . . 10.0 109.446 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -126.22 162.58 25.1 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.918 0.389 . . . . 10.0 111.455 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 67.8 mt -119.72 132.12 55.56 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.581 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -134.81 149.36 50.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.839 0.352 . . . . 10.0 111.23 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.9 118.47 25.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.977 -0.556 . . . . 10.0 109.524 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' B' ' 4' ' ' GLU . 0.6 OUTLIER -86.68 -61.86 1.64 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.49 -0.323 . . . . 10.0 110.903 -179.046 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.19 170.25 18.54 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.702 -0.761 . . . . 10.0 111.976 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.1 0.11 64.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.884 -0.674 . . . . 10.0 112.729 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.97 -0.67 44.67 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.66 -0.781 . . . . 10.0 112.434 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 152.47 42.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.019 0.438 . . . . 10.0 110.173 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -113.51 177.47 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.28 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.07 172.25 22.43 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.362 -0.695 . . . . 10.0 111.362 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 24.7 ptt? -136.54 171.23 14.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.634 0.254 . . . . 10.0 110.903 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -171.01 144.47 8.3 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.593 -0.813 . . . . 10.0 112.463 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 10.6 ttm -119.41 135.76 54.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.915 0.388 . . . . 10.0 110.764 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.14 151.76 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.578 -0.527 . . . . 10.0 109.578 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 26.3 p -91.28 157.01 17.39 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.88 -0.328 . . . . 10.0 110.847 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -68.21 -21.96 64.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.848 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -85.26 -32.63 22.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.231 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.68 -36.16 26.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.535 -0.302 . . . . 10.0 110.495 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -81.03 121.58 80.86 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.11 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' HD12 ' A' ' 58' ' ' LEU . 30.7 Cg_exo -60.68 147.83 93.55 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.694 2.263 . . . . 10.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -56.96 -32.48 66.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.56 -48.01 83.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.554 . . . . 10.0 110.316 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD12 ' HD2' ' A' ' 55' ' ' PRO . 51.2 mt -74.66 -31.25 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.011 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 tp -58.28 -40.16 81.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.414 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -67.66 -32.16 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.249 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.9 mtp -70.16 -33.67 72.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.051 0.453 . . . . 10.0 109.82 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 88.6 mt -68.58 -29.69 68.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.542 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.79 -24.54 67.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.587 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -76.65 -26.82 55.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.634 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -103.34 4.49 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.237 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -73.15 107.08 5.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.912 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 90.4 mttt . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.115 -178.827 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.317 -0.313 . . . . 10.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.476 ' HB3' HD13 ' A' ' 39' ' ' LEU . 26.0 mm-40 -71.33 116.47 11.7 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.186 0.517 . . . . 10.0 111.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.49 104.59 0.18 Allowed Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.628 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.36 169.18 11.01 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.848 0.356 . . . . 10.0 110.737 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -129.98 152.86 48.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 10.0 109.948 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -125.63 -175.43 3.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 10.0 111.407 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.09 67.27 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.182 -0.767 . . . . 10.0 111.182 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.52 126.2 51.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.776 0.322 . . . . 10.0 110.665 -179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -93.65 132.85 37.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.387 -0.597 . . . . 10.0 109.387 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 10.0 110.657 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.306 -0.317 . . . . 10.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.7 t -92.4 142.94 26.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.929 0.395 . . . . 10.0 110.441 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -96.42 -0.78 48.73 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.341 0.591 . . . . 10.0 109.699 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.6 mmm -83.04 -163.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.97 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.65 137.02 52.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.43 130.98 44.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.536 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.0 132.53 50.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.306 -0.407 . . . . 10.0 110.717 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -90.96 137.17 32.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.014 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -129.92 144.82 51.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.784 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -103.49 57.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.655 0.741 . . . . 10.0 109.822 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.23 120.77 15.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.117 -0.947 . . . . 10.0 111.108 -178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt 60.48 8.41 1.66 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.715 -0.675 . . . . 10.0 112.174 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 105.08 -12.77 49.06 Favored Glycine 0 C--O 1.237 0.293 0 N-CA-C 111.566 -0.614 . . . . 10.0 111.566 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -88.66 144.67 26.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -88.89 110.41 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.874 0.369 . . . . 10.0 110.375 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -117.43 163.05 16.97 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.166 -0.679 . . . . 10.0 109.166 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -137.8 130.14 29.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.764 0.316 . . . . 10.0 110.7 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -128.17 139.4 52.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.377 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -72.34 141.9 48.79 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.692 -0.485 . . . . 10.0 109.692 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -59.68 -26.79 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.927 0.343 . . . . 10.0 111.927 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.2 p -82.21 -12.37 58.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.817 0.341 . . . . 10.0 111.108 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -94.08 -17.8 22.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.296 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.7 mt -73.57 110.12 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.394 -0.367 . . . . 10.0 110.277 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 38' ' ' ASP . 71.7 mt -69.75 -59.15 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.865 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 p -156.04 145.26 20.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.029 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.97 128.98 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.603 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.65 117.35 3.84 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 121.016 -0.611 . . . . 10.0 111.575 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -98.07 109.73 22.44 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.764 0.316 . . . . 10.0 110.395 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -89.97 13.64 14.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 116.57 -98.14 0.79 Allowed Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.068 -0.813 . . . . 10.0 111.068 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -90.15 -18.44 25.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.97 0.414 . . . . 10.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.1 mt -110.89 121.21 44.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.74 -0.663 . . . . 10.0 109.778 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 48' ' ' MET . 35.7 mt -107.13 114.75 46.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.472 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.418 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 50.0 t60 -113.82 127.93 56.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.288 -0.414 . . . . 10.0 110.02 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -128.69 155.85 44.4 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.888 0.375 . . . . 10.0 111.282 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 46' ' ' MET . 63.9 mt -112.34 134.83 53.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.212 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 31.4 p90 -134.1 147.01 50.8 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.636 -0.426 . . . . 10.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 24' ' ' LEU . 9.1 t70 -82.05 122.38 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.477 -0.783 . . . . 10.0 109.837 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 tt -94.59 -62.09 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.77 0.319 . . . . 10.0 110.467 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.49 157.1 7.5 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.234 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.33 7.31 86.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.043 -0.598 . . . . 10.0 112.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.05 -16.76 58.01 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.028 -0.606 . . . . 10.0 111.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.94 155.9 18.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.05 0.452 . . . . 10.0 110.349 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -126.17 179.99 4.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.321 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.16 168.84 23.22 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.786 -0.925 . . . . 10.0 110.786 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.421 ' HB3' HD23 ' A' ' 36' ' ' LEU . 22.5 ptt? -146.8 155.12 42.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.264 0.532 . . . . 10.0 110.73 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.22 141.78 9.23 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.705 -0.759 . . . . 10.0 112.208 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.505 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 5.2 ttp -119.92 122.21 40.73 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.878 0.371 . . . . 10.0 110.166 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.65 158.69 29.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.228 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.3 p -94.79 157.28 16.0 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.77 -22.05 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 10.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -79.47 -36.6 38.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 10.0 110.498 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -82.6 -19.94 37.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.24 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.3 118.46 68.11 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.468 -0.333 . . . . 10.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.64 148.06 92.68 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.565 2.176 . . . . 10.0 111.679 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -56.08 -37.73 69.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.377 -0.374 . . . . 10.0 111.956 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -63.75 -48.4 77.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 10.0 110.615 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 30.9 mt -68.18 -34.21 75.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.347 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 50.3 tp -61.4 -36.35 80.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.129 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 63' ' ' GLU . 9.8 tp-100 -72.49 -30.32 64.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.887 -0.597 . . . . 10.0 109.735 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 89.9 mtp -69.78 -31.99 70.23 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 95.3 mt -71.95 -24.48 61.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.637 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 50.7 mm-40 -64.2 -25.58 68.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.65 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -80.76 -18.16 48.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.524 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -109.99 8.31 24.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.062 0.458 . . . . 10.0 110.66 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -75.67 104.21 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.175 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 mttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.863 -179.095 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 111.997 -0.441 . . . . 10.0 111.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -76.46 136.09 39.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.074 0.464 . . . . 10.0 110.676 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.42 77.56 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 110.717 -0.953 . . . . 10.0 110.717 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.52 153.64 43.23 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.208 0.528 . . . . 10.0 111.983 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.29 161.04 19.03 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.576 -0.738 . . . . 10.0 109.651 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -132.57 -174.33 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.437 . . . . 10.0 111.355 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.27 82.48 0.04 OUTLIER Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.623 -0.717 . . . . 10.0 111.659 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.505 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -106.93 129.53 54.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.563 0.221 . . . . 10.0 110.485 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -79.98 113.7 18.34 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.368 -0.604 . . . . 10.0 109.368 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.874 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.989 -0.445 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -98.17 128.85 44.88 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.956 0.407 . . . . 10.0 110.759 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 11.95 36.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.581 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.4 mmm -90.08 -134.97 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.179 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.88 120.17 17.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.929 0.395 . . . . 10.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.03 125.46 38.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.225 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 t -110.35 130.53 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.785 0.326 . . . . 10.0 111.077 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -84.63 135.12 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.27 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -127.3 109.73 12.1 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.112 0.482 . . . . 10.0 111.422 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 74.3 tttt -84.82 89.82 7.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.046 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.49 47.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.608 -0.515 . . . . 10.0 109.608 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt 59.16 15.7 4.34 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.41 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.7 -15.9 61.21 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.929 -0.653 . . . . 10.0 112.438 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 10' ' ' LYS . 26.1 tt0 -91.42 144.23 25.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.731 0.3 . . . . 10.0 110.208 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -97.33 100.91 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 10.0 111.459 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -92.34 174.03 7.5 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.818 -0.628 . . . . 10.0 109.621 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -145.03 118.35 8.99 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.26 136.96 59.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.009 0.433 . . . . 10.0 111.029 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -74.49 137.87 42.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.547 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -60.99 -26.95 40.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.648 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.0 p -76.54 -17.07 59.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 10.0 111.22 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -95.55 -11.91 26.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.378 . . . . 10.0 111.074 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -76.17 126.22 36.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.663 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.2 -59.07 2.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.741 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.08 24.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.969 0.414 . . . . 10.0 111.189 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -114.41 132.61 63.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 109.87 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.98 115.16 2.25 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.071 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' HG12 ' A' ' 33' ' ' ILE . 70.6 ttt-85 -93.08 114.08 26.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.101 0.477 . . . . 10.0 110.637 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -84.66 -8.27 58.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.085 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.54 -94.07 0.32 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.186 -0.766 . . . . 10.0 111.186 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -80.92 -17.53 50.23 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.188 0.518 . . . . 10.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.2 mt -122.79 134.31 54.43 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.967 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' A' ' 28' ' ' ARG . 16.9 mt -115.06 112.26 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -106.53 127.9 53.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.248 -0.433 . . . . 10.0 109.847 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -125.08 161.17 27.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.897 0.379 . . . . 10.0 111.269 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 mt -126.77 124.46 39.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.744 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -121.59 147.99 45.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.969 0.414 . . . . 10.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.57 124.46 29.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.926 -0.579 . . . . 10.0 109.815 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.8 tt -96.17 -70.76 0.7 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.109 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.3 160.59 9.39 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.417 -0.897 . . . . 10.0 112.617 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.95 -21.82 14.19 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.86 -17.88 4.87 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.526 -0.63 . . . . 10.0 111.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.0 45.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.111 0.481 . . . . 10.0 110.0 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.41 -179.94 4.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.761 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.47 155.81 17.63 Favored Glycine 0 N--CA 1.442 -0.918 0 N-CA-C 111.262 -0.735 . . . . 10.0 111.262 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -131.74 163.73 27.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.787 0.294 . . . . 10.0 110.502 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.55 138.19 5.03 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.011 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 34.3 ttp -124.55 114.94 20.08 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.923 0.392 . . . . 10.0 110.356 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -108.25 146.99 13.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.892 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 p -80.01 155.18 27.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.859 0.362 . . . . 10.0 110.504 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -68.85 -12.9 62.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.121 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -96.06 -28.13 14.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.488 -0.324 . . . . 10.0 110.932 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -83.53 -30.34 27.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.857 0.36 . . . . 10.0 110.583 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -80.2 117.09 65.9 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.191 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 27.6 Cg_exo -62.4 162.25 24.59 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.882 2.388 . . . . 10.0 112.351 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.8 -46.63 87.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.718 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' A' ' 61' ' ' MET . 1.4 tt0 -59.18 -49.76 76.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.306 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.8 -30.3 70.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.208 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.96 -40.04 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.514 -0.55 . . . . 10.0 109.514 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.24 -31.95 73.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.606 -0.724 . . . . 10.0 109.732 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 86.7 mtp -70.28 -36.09 74.16 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.58 -24.28 65.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.32 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.26 -26.19 67.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.241 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.57 -38.02 62.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -98.11 9.51 42.72 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.63 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -69.97 112.35 6.3 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.571 -0.529 . . . . 10.0 109.571 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.57 -178.639 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.463 0 N-CA-C 112.367 -0.293 . . . . 10.0 112.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -82.68 122.31 27.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.798 0.332 . . . . 10.0 110.871 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.6 109.72 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.627 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -90.76 167.33 12.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.683 0.278 . . . . 10.0 111.009 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -125.96 134.44 51.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.757 -0.656 . . . . 10.0 109.69 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -118.28 -166.18 1.19 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.511 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.81 79.35 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.166 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.495 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -103.4 154.44 19.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 179.306 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -99.53 115.93 30.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.998 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.222 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 N-CA-C 111.874 -0.491 . . . . 10.0 111.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -79.32 141.39 37.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.1 0.476 . . . . 10.0 110.449 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m-70 -107.55 10.83 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.979 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.3 mmm -100.16 -174.12 2.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.305 -0.862 . . . . 10.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.3 143.79 26.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.871 0.367 . . . . 10.0 110.663 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.4 p -112.37 123.09 49.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.962 0.41 . . . . 10.0 110.683 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.5 133.56 37.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.756 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -99.04 140.28 33.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' CE2' HD21 ' A' ' 62' ' ' LEU . 84.1 m-85 -133.45 127.96 34.44 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.273 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -89.2 83.2 6.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.56 125.66 42.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.13 -179.079 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt 58.96 12.51 2.38 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.512 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.68 -12.86 58.04 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.447 -0.661 . . . . 10.0 111.447 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -94.18 131.32 39.86 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.842 -0.429 . . . . 10.0 109.842 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -87.29 110.47 20.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.867 0.365 . . . . 10.0 110.819 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 11' ' ' TYR . 18.0 mttm -106.3 146.34 30.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -117.21 120.97 39.91 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.79 -0.448 . . . . 10.0 109.79 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.3 t -118.58 135.11 60.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.784 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -71.35 140.83 50.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.279 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.3 tt -62.08 -29.71 47.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.532 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.4 p -80.51 -6.67 58.53 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 120.884 0.373 . . . . 10.0 111.149 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -102.98 -10.82 18.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.83 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mt -73.66 131.99 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.448 -0.342 . . . . 10.0 110.253 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -93.74 -60.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.779 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.2 p -156.75 137.46 13.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 10.0 111.514 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB3' ' A' ' 35' ' ' PHE . 39.6 t -109.0 132.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.153 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.29 116.01 2.56 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.797 -0.716 . . . . 10.0 112.427 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 23.6 ttt180 -87.99 104.73 16.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.632 0.253 . . . . 10.0 110.589 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -81.15 2.82 25.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.273 0.559 . . . . 10.0 110.65 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.463 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.89 -94.35 0.46 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.083 -0.807 . . . . 10.0 111.083 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -89.03 -29.85 19.16 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.462 -0.57 . . . . 10.0 109.462 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 mt -106.25 119.97 40.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.987 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 48' ' ' MET . 21.1 mt -100.93 113.67 37.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.65 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -108.17 131.93 54.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 26' ' ' VAL . 17.8 p90 -132.64 165.15 25.12 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.09 0.472 . . . . 10.0 111.809 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.5 mt -124.67 135.02 52.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.272 -0.876 . . . . 10.0 109.207 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -138.46 157.22 46.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.896 -0.409 . . . . 10.0 109.896 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.04 132.6 35.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.834 0.35 . . . . 10.0 110.283 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.586 HD21 ' HG3' ' B' ' 4' ' ' GLU . 0.6 OUTLIER -100.29 -35.11 9.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.463 -179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.37 147.58 12.09 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.575 -0.821 . . . . 10.0 112.617 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.46 4.13 74.02 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.369 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.08 -52.77 0.64 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.904 -0.665 . . . . 10.0 111.759 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -78.5 152.36 32.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.922 0.391 . . . . 10.0 110.025 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.11 -173.3 2.22 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.06 0.457 . . . . 10.0 110.737 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.28 163.51 23.57 Favored Glycine 0 N--CA 1.439 -1.11 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.524 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -137.79 162.36 34.14 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.617 -0.512 . . . . 10.0 109.617 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -161.23 148.97 17.43 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.784 -0.722 . . . . 10.0 111.743 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 30.7 ttp -135.36 122.0 20.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.203 0.525 . . . . 10.0 110.932 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.87 151.22 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 p -93.05 160.31 14.92 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.724 -0.39 . . . . 10.0 110.472 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.16 -9.59 53.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.099 0.476 . . . . 10.0 110.686 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -93.05 -16.03 25.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.294 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.62 -13.7 14.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.383 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.08 111.03 53.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.549 -0.296 . . . . 10.0 110.485 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.2 152.37 66.67 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.901 2.4 . . . . 10.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -53.92 -43.09 69.48 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.476 0.547 . . . . 10.0 112.476 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -60.75 -47.86 84.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.3 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.9 mt -71.87 -31.01 66.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.328 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.82 -42.56 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.213 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -64.38 -36.24 83.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.188 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 93.4 mtp -65.93 -34.32 77.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.085 -0.507 . . . . 10.0 109.912 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 81.0 mt -71.14 -30.37 66.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 10.0 110.291 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.391 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.17 -19.26 51.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.236 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -111.86 11.98 20.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.226 0.536 . . . . 10.0 110.544 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -75.81 106.36 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 10.0 109.536 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 91.6 mttt . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.43 -179.191 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.372 -0.291 . . . . 10.0 112.372 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 39' ' ' LEU . 1.5 mm-40 -87.71 81.25 7.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.893 0.378 . . . . 10.0 110.42 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.29 120.79 5.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.99 -0.624 . . . . 10.0 112.929 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -110.83 135.14 51.83 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.323 -0.251 . . . . 10.0 110.323 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -134.56 148.05 50.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.431 -0.349 . . . . 10.0 111.021 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -139.44 -171.09 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.086 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.01 89.64 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.559 -0.829 . . . . 10.0 112.393 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.427 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -112.22 151.95 28.99 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.908 -0.404 . . . . 10.0 109.908 179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -102.42 109.52 21.2 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.859 -0.609 . . . . 10.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 111.682 -0.567 . . . . 10.0 111.682 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -107.0 142.69 36.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.947 0.374 . . . . 10.0 110.258 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -94.15 -1.07 54.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.169 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.0 mmm -100.25 170.97 8.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.14 150.26 24.08 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.883 0.373 . . . . 10.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.08 141.69 37.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.741 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.7 t -114.1 124.44 70.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.111 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 72.5 mttt -89.79 125.23 35.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.98 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -114.5 140.94 48.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.797 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HD3' ' CG ' ' A' ' 53' ' ' ASP . 71.4 tttt -94.21 64.61 3.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.652 0.739 . . . . 10.0 109.196 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CD2' ' HE2' ' A' ' 16' ' ' LYS . 15.0 t80 -65.38 98.97 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.757 -1.11 . . . . 10.0 111.217 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt 56.4 25.02 9.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.993 -0.548 . . . . 10.0 111.006 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.37 -23.62 32.56 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.994 -0.622 . . . . 10.0 111.743 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -74.41 124.35 26.36 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -76.32 93.7 3.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.067 0.46 . . . . 10.0 110.47 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 21.6 mttm -88.8 148.33 23.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.13 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -129.48 99.61 5.25 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.071 -0.714 . . . . 10.0 109.071 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.6 t -110.9 139.99 32.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.121 0.486 . . . . 10.0 111.428 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -72.31 141.39 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.896 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.4 tt -61.9 -30.43 48.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 112.037 0.384 . . . . 10.0 112.037 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.6 p -78.3 -13.65 59.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.758 0.314 . . . . 10.0 111.281 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -95.45 -5.77 42.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 10.0 110.926 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' HB ' HE21 ' A' ' 65' ' ' GLN . 89.2 mt -74.97 115.09 15.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.47 -59.88 2.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.212 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.4 m -151.67 136.09 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.774 0.321 . . . . 10.0 111.493 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.2 t -109.12 130.16 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -125.47 113.12 1.83 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.953 -0.642 . . . . 10.0 112.185 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -82.79 118.81 23.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.777 0.322 . . . . 10.0 110.299 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.11 10.66 39.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.95 -110.07 1.84 Allowed Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 110.908 -0.877 . . . . 10.0 110.908 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -80.37 -21.18 42.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.143 0.497 . . . . 10.0 110.154 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 48' ' ' MET . 12.9 mt -112.13 126.19 54.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.283 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.5 mt -111.29 125.68 68.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.581 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -113.13 139.81 48.43 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -142.92 153.61 43.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.778 0.323 . . . . 10.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 46' ' ' MET . 11.4 mt -111.95 138.45 48.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.599 -0.728 . . . . 10.0 109.386 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -135.53 149.78 49.57 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 10.0 111.788 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.46 109.17 6.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.319 -0.855 . . . . 10.0 110.889 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -84.59 -47.66 10.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.762 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.41 140.49 5.65 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.653 -0.784 . . . . 10.0 111.823 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.07 4.29 60.05 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.724 -0.751 . . . . 10.0 112.295 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.35 -46.22 1.2 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.725 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.96 149.76 26.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.202 0.525 . . . . 10.0 111.167 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -110.94 168.07 9.77 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.46 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.84 172.83 14.59 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.475 -0.65 . . . . 10.0 111.475 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.439 ' HB3' HD23 ' A' ' 36' ' ' LEU . 20.7 ptt? -153.95 140.47 18.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.895 0.378 . . . . 10.0 110.764 -179.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -142.28 114.43 0.88 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.957 -0.64 . . . . 10.0 112.095 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HG2' HD22 ' A' ' 32' ' ' LEU . 17.0 ttp -94.24 126.41 39.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.742 0.306 . . . . 10.0 110.465 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -131.21 159.11 43.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.7 p -90.6 159.53 16.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.897 0.379 . . . . 10.0 110.617 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.92 -31.95 69.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.598 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -72.74 -36.84 67.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.767 -0.197 . . . . 10.0 111.078 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.463 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 4.0 m-20 -73.07 -39.46 65.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 10.0 111.35 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -75.19 129.05 83.53 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.376 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 32.8 Cg_exo -59.29 148.56 85.71 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.587 2.191 . . . . 10.0 111.918 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.18 -37.37 77.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.659 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.46 -45.34 87.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.84 0.353 . . . . 10.0 110.787 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.2 mt -71.62 -31.0 66.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.29 -40.75 95.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.96 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -66.14 -32.1 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.084 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.4 mtp -71.72 -30.16 65.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.85 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.7 -37.72 73.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.371 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -64.06 -24.97 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.744 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.28 -10.95 58.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.445 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.404 HE21 ' HB ' ' A' ' 23' ' ' ILE . 12.5 mm100 -112.37 4.65 17.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.35 0.595 . . . . 10.0 109.675 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -67.3 123.12 19.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.16 -0.927 . . . . 10.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.649 -179.657 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 111.893 -0.483 . . . . 10.0 111.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -73.9 129.71 38.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.932 0.396 . . . . 10.0 110.858 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.64 54.39 0.29 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.547 -0.835 . . . . 10.0 112.509 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 5.2 pt-20 -77.73 147.75 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.442 0.163 . . . . 10.0 110.677 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -138.21 153.7 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.095 0.474 . . . . 10.0 112.002 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.04 179.66 3.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.287 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -176.98 32.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 119.882 -1.152 . . . . 10.0 113.128 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.33 150.0 46.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.709 0.29 . . . . 10.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -100.14 141.14 33.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.031 -0.531 . . . . 10.0 109.576 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 120.624 0.249 . . . . 10.0 110.487 179.852 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.145 -0.382 . . . . 10.0 112.145 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -82.52 152.68 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 10.0 110.473 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -118.03 10.81 13.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.266 0.555 . . . . 10.0 109.814 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mmm -88.0 177.8 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.47 -0.786 . . . . 10.0 110.252 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.35 127.67 35.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.394 -0.366 . . . . 10.0 110.608 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.63 134.86 35.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.169 -0.469 . . . . 10.0 110.552 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.9 t -107.96 124.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.489 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -84.97 136.69 33.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.905 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -126.81 115.21 19.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.181 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -93.19 101.24 13.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.821 -0.807 . . . . 10.0 108.821 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CE1' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -141.19 140.53 34.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.479 -178.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.0 17.87 10.9 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.271 -179.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.65 7.21 88.79 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.387 -0.685 . . . . 10.0 111.387 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -114.81 140.57 48.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.071 -0.344 . . . . 10.0 110.071 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -93.43 114.52 26.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.221 -0.445 . . . . 10.0 109.886 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -109.38 160.12 16.44 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -139.02 109.56 6.58 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.243 0.544 . . . . 10.0 110.405 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -112.08 135.6 50.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -72.57 145.5 47.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.746 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 tt -58.51 -29.73 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.527 -0.306 . . . . 10.0 111.787 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 p -74.07 -21.72 59.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.825 0.345 . . . . 10.0 111.111 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -84.31 -29.99 25.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.55 120.79 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.802 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -90.82 -55.9 3.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.813 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 1.1 p -149.36 140.23 22.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.484 -179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.8 134.65 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.94 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -128.26 140.31 11.69 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.997 -0.621 . . . . 10.0 111.983 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -102.68 106.32 16.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.923 0.392 . . . . 10.0 111.21 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -98.76 50.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.623 0.725 . . . . 10.0 109.603 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.89 -131.02 10.58 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.915 -0.874 . . . . 10.0 110.915 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.18 -1.39 36.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.97 0.414 . . . . 10.0 110.944 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 32' ' ' LEU . 13.8 mt -117.15 115.41 25.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.189 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' MET . 66.2 mt -97.86 116.57 40.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 10.0 111.107 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -98.89 126.1 44.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 10.0 109.584 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -120.09 147.22 45.12 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.111 0.482 . . . . 10.0 111.297 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mt -118.73 125.71 50.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.341 -0.845 . . . . 10.0 109.468 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -134.09 154.07 51.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.829 0.347 . . . . 10.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -80.58 129.84 34.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.471 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.62 -26.08 30.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.614 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.34 53.5 2.78 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 121.125 -0.56 . . . . 10.0 112.562 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 174.14 52.4 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.319 -0.943 . . . . 10.0 112.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.08 -63.45 4.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.272 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 164.96 16.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.893 0.378 . . . . 10.0 110.345 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.86 179.61 4.2 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.01 153.54 16.99 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.805 -0.918 . . . . 10.0 110.805 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -146.66 159.99 42.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.975 0.388 . . . . 10.0 110.736 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.06 169.38 38.92 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.455 -0.658 . . . . 10.0 111.455 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.5 ttp -137.9 113.88 9.93 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.11 -0.33 . . . . 10.0 110.11 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.72 147.62 11.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.892 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.28 137.66 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.984 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.07 -28.64 66.67 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.755 0.312 . . . . 10.0 111.551 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.72 -33.93 66.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.971 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -84.53 -32.2 24.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.204 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -71.84 117.91 62.05 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.771 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 24.4 Cg_exo -63.28 151.48 84.63 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.732 2.288 . . . . 10.0 112.02 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -55.55 -34.41 64.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.478 -0.328 . . . . 10.0 111.37 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.7 -57.36 9.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.029 0.442 . . . . 10.0 110.622 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 65.9 mt -63.34 -32.29 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.629 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 tp -62.15 -42.77 99.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.945 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 tp-100 -65.37 -34.72 78.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.224 0.535 . . . . 10.0 109.662 179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.7 mtp -68.42 -35.97 78.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.549 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 90.1 mt -68.67 -35.29 77.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.907 178.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -62.85 -29.84 71.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.762 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 48.1 mttt -71.82 -20.47 61.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.861 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -116.62 15.52 15.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.005 0.431 . . . . 10.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -73.1 128.43 35.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 93.8 mttt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.488 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.07 -0.412 . . . . 10.0 112.07 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -98.61 121.54 40.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.778 0.323 . . . . 10.0 110.692 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.51 70.9 0.2 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.557 -0.83 . . . . 10.0 112.576 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -75.7 138.21 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.816 0.341 . . . . 10.0 110.245 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -132.6 176.65 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.434 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.93 -150.48 0.44 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.189 0.519 . . . . 10.0 110.905 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 63.6 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.3 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.16 141.99 27.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.777 0.322 . . . . 10.0 110.338 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -98.61 101.12 12.45 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.098 -0.705 . . . . 10.0 109.098 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 10.0 110.98 -179.259 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.314 -0.314 . . . . 10.0 112.314 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -93.3 145.64 24.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.867 0.365 . . . . 10.0 110.258 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -106.53 12.35 29.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.419 0.628 . . . . 10.0 109.584 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.7 mmm -101.32 -168.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.375 -0.829 . . . . 10.0 110.403 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -112.32 134.2 54.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.349 . . . . 10.0 110.96 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.07 135.18 34.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.59 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.2 t -104.92 129.01 58.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.355 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -88.04 135.87 33.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -126.15 173.79 8.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.739 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -127.68 93.59 3.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 10.0 109.633 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -89.27 102.82 15.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 82.7 mttt 56.33 21.78 5.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.899 -0.591 . . . . 10.0 111.802 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.49 -13.51 36.0 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.745 -0.74 . . . . 10.0 112.433 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.28 131.4 36.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.718 -0.475 . . . . 10.0 109.718 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.27 113.3 18.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 10.0 111.321 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -111.73 168.87 9.23 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.839 -0.619 . . . . 10.0 109.873 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -146.52 122.3 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.816 0.341 . . . . 10.0 110.41 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.74 136.48 60.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.425 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.66 141.9 53.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 10.0 109.998 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.33 -26.3 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 116.505 -0.316 . . . . 10.0 111.761 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.2 p -78.77 -7.45 57.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 10.0 111.229 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -102.25 -12.89 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.396 . . . . 10.0 110.523 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.9 120.45 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.2 mt -81.58 -56.87 3.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.971 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 p -156.3 138.54 14.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 10.0 111.144 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -108.14 139.06 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.986 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.19 136.14 8.1 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.336 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -95.39 107.84 20.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.874 0.369 . . . . 10.0 110.515 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.85 53.94 1.26 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.68 -117.17 4.5 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.132 -0.787 . . . . 10.0 111.132 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -87.9 -3.77 58.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 48' ' ' MET . 16.2 mt -119.15 120.28 36.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.111 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' MET . 59.4 mt -95.21 119.15 42.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 82.2 t60 -115.86 125.57 52.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.851 0.358 . . . . 10.0 110.228 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -129.77 161.27 31.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.142 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.2 mt -115.69 137.36 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.741 -0.663 . . . . 10.0 109.287 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -133.8 147.0 51.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.948 0.404 . . . . 10.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -86.25 117.81 25.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.892 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tt -89.08 -35.2 16.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.127 0.489 . . . . 10.0 110.521 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.57 162.93 16.06 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.817 -0.706 . . . . 10.0 111.699 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.45 8.83 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.87 -27.95 17.41 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.807 -0.711 . . . . 10.0 112.962 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 162.78 12.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.269 0.557 . . . . 10.0 111.288 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.83 174.33 10.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.508 -0.769 . . . . 10.0 110.41 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.83 169.82 19.46 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.975 -0.631 . . . . 10.0 111.616 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.3 ptt? -136.38 148.83 48.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.732 0.266 . . . . 10.0 110.289 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.45 136.86 7.7 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.651 -0.785 . . . . 10.0 112.845 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG2' HD22 ' A' ' 32' ' ' LEU . 19.5 ttp -124.06 119.63 30.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.079 0.466 . . . . 10.0 110.201 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 p -130.52 140.16 49.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.484 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.83 151.58 40.49 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.673 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.76 -31.3 72.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.439 -0.346 . . . . 10.0 111.394 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.42 -43.77 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.01 -48.07 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.2 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -62.73 119.08 47.8 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.749 -0.66 . . . . 10.0 112.096 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 39.5 Cg_exo -61.62 150.96 83.29 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.79 2.327 . . . . 10.0 111.655 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -60.98 -38.6 86.55 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.8 0.333 . . . . 10.0 111.592 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -63.79 -45.26 90.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.302 -0.408 . . . . 10.0 110.099 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 20.2 mt -68.11 -34.28 76.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.682 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.95 -41.25 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.599 . . . . 10.0 109.57 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.29 -33.44 71.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.192 0.52 . . . . 10.0 109.988 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.7 mtp -76.05 -33.01 59.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.744 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 84.3 mt -73.15 -36.04 66.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.436 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.37 -30.38 70.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.687 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -77.6 -28.94 51.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.501 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.24 2.63 55.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.77 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -73.11 122.4 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.353 -178.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.172 -0.371 . . . . 10.0 112.172 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.4 135.03 48.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.188 0.518 . . . . 10.0 111.857 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.65 100.86 0.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.375 -0.83 . . . . 10.0 111.316 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.08 157.13 24.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.083 0.468 . . . . 10.0 111.38 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -114.21 142.06 46.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.736 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.47 175.96 7.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.598 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.31 54.77 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.911 -0.662 . . . . 10.0 111.465 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.14 128.64 37.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.669 0.271 . . . . 10.0 111.02 -179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -78.46 109.75 12.91 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 10.0 110.938 -179.636 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.371 -0.292 . . . . 10.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -112.18 136.93 50.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.878 0.37 . . . . 10.0 110.069 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -100.16 5.53 44.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.591 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 71.6 mmm -90.63 -168.3 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.139 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -108.06 136.96 46.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.629 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 19' ' ' ASP . 0.7 OUTLIER -97.8 138.89 34.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.137 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.0 t -105.44 133.88 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 110.0 -0.371 . . . . 10.0 110.0 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -101.94 139.23 37.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -128.46 171.5 12.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.965 0.412 . . . . 10.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -129.52 41.66 3.41 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.878 -0.786 . . . . 10.0 108.878 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.81 123.9 18.88 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 114.953 -1.021 . . . . 10.0 111.186 -178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 59.24 18.72 6.84 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.036 -0.983 . . . . 10.0 112.046 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.83 -20.41 49.99 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.938 -0.648 . . . . 10.0 112.972 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -87.54 135.23 33.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.692 0.282 . . . . 10.0 110.358 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -88.6 111.39 21.83 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.353 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -117.21 161.32 19.65 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.144 -0.48 . . . . 10.0 109.873 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -124.69 128.57 49.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.54 -0.3 . . . . 10.0 110.278 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.1 t -130.16 128.08 64.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.787 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 9.3 t70 -70.08 142.44 52.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 tt -62.1 -28.61 44.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.483 -0.326 . . . . 10.0 111.567 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 p -75.04 -21.94 58.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.039 0.447 . . . . 10.0 110.698 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -84.13 -25.68 29.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.583 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.12 129.42 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.709 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 mt -91.6 -63.53 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.119 0.485 . . . . 10.0 110.676 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -146.4 140.9 26.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.871 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.66 134.23 55.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.685 -0.487 . . . . 10.0 109.685 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.79 127.35 5.94 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.096 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -95.28 114.55 26.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.852 0.358 . . . . 10.0 110.568 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.5 2.92 56.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.432 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.89 -109.98 1.23 Allowed Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 110.481 -1.047 . . . . 10.0 110.481 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -79.81 -20.79 45.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.092 0.472 . . . . 10.0 109.792 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.45 HD22 ' HG2' ' A' ' 48' ' ' MET . 14.4 mt -110.85 125.83 54.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.407 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 48' ' ' MET . 72.6 mt -109.47 124.5 66.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.838 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -110.44 138.09 47.29 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.322 -0.621 . . . . 10.0 109.322 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -137.45 151.12 48.15 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.2 0.524 . . . . 10.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.9 mt -115.08 131.93 56.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.998 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.47 158.45 44.37 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.691 -0.403 . . . . 10.0 111.339 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -77.37 130.42 37.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.45 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -102.57 -65.35 1.0 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.829 0.347 . . . . 10.0 110.717 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 157.99 8.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.538 -0.839 . . . . 10.0 111.497 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.04 19.21 75.3 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.131 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.53 -18.87 50.86 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.165 -0.54 . . . . 10.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -86.54 155.8 20.33 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.087 0.47 . . . . 10.0 110.698 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.12 -179.77 3.78 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.248 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.55 154.44 22.53 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 110.647 -0.981 . . . . 10.0 110.647 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -134.44 156.08 49.2 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.219 0.509 . . . . 10.0 111.141 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.17 158.35 28.57 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.243 -0.743 . . . . 10.0 111.243 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 12.8 ttp -140.92 121.87 14.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.035 0.445 . . . . 10.0 110.742 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -123.59 157.22 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.084 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -91.11 150.26 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.793 0.33 . . . . 10.0 110.745 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.0 -19.86 65.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.533 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -87.31 -9.97 53.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.907 0.384 . . . . 10.0 110.944 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -49.58 4.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.026 -0.533 . . . . 10.0 110.638 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.3 119.74 61.83 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.974 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.74 149.15 70.38 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.728 2.285 . . . . 10.0 111.63 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -56.0 -34.71 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.808 0.299 . . . . 10.0 111.808 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.24 -50.36 72.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.083 0.468 . . . . 10.0 110.321 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.3 mt -71.85 -33.58 68.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.689 -0.687 . . . . 10.0 110.703 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 63' ' ' GLU . 17.3 tp -61.65 -36.25 80.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.13 0.49 . . . . 10.0 110.043 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -70.13 -34.6 73.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.52 -0.764 . . . . 10.0 109.796 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 95.3 mtp -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.678 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.99 -26.24 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.569 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 59' ' ' LEU . 5.8 mm-40 -64.85 -31.84 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.163 0.506 . . . . 10.0 110.562 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -81.39 -8.02 59.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.183 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -116.4 1.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.104 0.478 . . . . 10.0 110.308 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -71.99 126.63 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.041 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 96.7 mttt . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.408 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 111.936 -0.466 . . . . 10.0 111.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.36 134.91 56.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.364 . . . . 10.0 110.633 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.51 58.67 0.69 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.427 -1.069 . . . . 10.0 110.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' B' ' 6' ' ' GLU . 1.5 pm0 -75.55 126.17 30.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.1 0.476 . . . . 10.0 112.022 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -133.09 164.71 26.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.731 -0.668 . . . . 10.0 109.474 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.411 ' OE1' ' HB2' ' A' ' 48' ' ' MET . 9.1 mt-10 -123.16 175.28 6.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.956 0.407 . . . . 10.0 110.729 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.78 63.99 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.078 -0.809 . . . . 10.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.1 130.42 51.81 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.547 -0.326 . . . . 10.0 110.494 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -87.59 126.61 35.04 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.819 -179.46 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.049 -0.42 . . . . 10.0 112.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.2 t -81.73 128.21 33.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.884 0.373 . . . . 10.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -100.97 10.77 40.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.557 . . . . 10.0 110.161 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 98.8 mmm -91.49 162.65 14.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.575 -0.738 . . . . 10.0 110.143 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.16 120.42 22.2 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.35 -0.387 . . . . 10.0 111.421 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.51 145.53 26.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.774 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.97 125.17 70.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.861 0.362 . . . . 10.0 111.205 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.07 138.88 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -131.4 121.46 24.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.574 0.226 . . . . 10.0 111.518 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -85.45 62.83 7.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.734 0.778 . . . . 10.0 108.918 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.41 ' CD1' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.64 111.53 7.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.885 -1.052 . . . . 10.0 111.14 -178.537 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' OE1' ' B' ' 10' ' ' GLU . 22.5 mtpt 55.78 20.52 4.1 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 103.22 -22.2 37.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.639 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE2' ' HE2' ' A' ' 16' ' ' LYS . 26.6 tt0 -80.75 123.2 28.01 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -78.58 95.24 5.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.161 0.505 . . . . 10.0 111.131 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' HE2' ' OE2' ' A' ' 14' ' ' GLU . 21.2 mmtt -91.7 161.69 14.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.546 -0.752 . . . . 10.0 109.455 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -142.09 104.98 4.56 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.065 0.459 . . . . 10.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.24 143.37 22.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.724 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.15 145.65 37.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.146 -0.479 . . . . 10.0 109.872 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.1 tt -62.55 -24.2 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.811 0.301 . . . . 10.0 111.811 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 p -79.51 -20.79 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.916 0.388 . . . . 10.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -88.08 -20.94 25.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.024 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.8 mt -69.12 122.7 21.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.196 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.5 mt -88.08 -60.05 2.07 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.18 -0.463 . . . . 10.0 111.073 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.6 m -149.87 146.46 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.625 0.25 . . . . 10.0 111.189 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' HB2' ' A' ' 35' ' ' PHE . 42.3 t -121.22 138.65 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 10.0 109.901 179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.44 131.25 5.99 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.9 -0.666 . . . . 10.0 112.383 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 17.6 ttt180 -94.04 116.71 29.16 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.676 0.274 . . . . 10.0 110.644 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -87.18 -3.23 59.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 10.0 110.259 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.498 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 124.63 -91.17 0.41 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 110.506 -1.038 . . . . 10.0 110.506 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -88.2 -18.51 28.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.094 0.473 . . . . 10.0 110.02 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -116.18 140.74 48.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.017 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -118.09 119.16 60.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -113.48 138.05 50.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.31 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' HB2' HG22 ' A' ' 26' ' ' VAL . 8.3 p90 -136.7 157.37 46.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.38 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 46' ' ' MET . 72.7 mt -117.66 136.44 53.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.474 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -138.9 146.86 41.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.96 -0.296 . . . . 10.0 110.574 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.51 126.87 30.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.727 -0.472 . . . . 10.0 109.727 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -97.27 -47.65 5.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.369 -0.378 . . . . 10.0 110.559 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.16 157.11 9.36 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.684 -0.77 . . . . 10.0 112.163 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.08 2.0 89.52 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.605 -0.807 . . . . 10.0 112.218 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.83 -19.83 25.17 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.382 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.07 155.75 20.03 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.085 0.469 . . . . 10.0 110.989 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -117.1 159.35 22.7 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.771 -0.649 . . . . 10.0 110.585 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.49 179.03 21.35 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.977 -0.849 . . . . 10.0 110.977 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB3' HD23 ' A' ' 36' ' ' LEU . 9.7 ptt? -152.96 175.39 13.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.06 0.43 . . . . 10.0 111.006 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.75 148.63 14.61 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.549 -0.62 . . . . 10.0 111.549 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' CE ' ' HB2' ' B' ' 10' ' ' GLU . 26.2 ttp -135.38 117.52 15.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.844 0.354 . . . . 10.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -122.81 160.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.234 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.4 p -91.7 160.51 15.32 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.59 -24.18 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.91 0.386 . . . . 10.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -79.83 -30.03 40.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.045 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -95.93 10.21 38.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.194 0.521 . . . . 10.0 110.57 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.14 114.58 48.45 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.345 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.9 135.51 59.95 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.463 2.109 . . . . 10.0 110.965 179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -56.34 -31.78 64.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.684 0.278 . . . . 10.0 111.401 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.58 -40.75 97.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.324 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.13 -24.35 30.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.185 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.76 -36.44 81.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.829 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.99 -35.0 79.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.681 -0.69 . . . . 10.0 109.816 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 97.9 mtp -71.41 -34.58 70.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.555 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.11 -36.92 82.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.813 -0.631 . . . . 10.0 109.745 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.068 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -77.15 -14.37 59.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.307 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -106.37 2.17 26.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.556 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.31 132.3 41.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 C--O 1.237 0.435 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.413 -179.554 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.19 -0.364 . . . . 10.0 112.19 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -81.41 167.15 19.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.423 0.154 . . . . 10.0 110.85 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.8 91.65 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.534 -0.841 . . . . 10.0 112.491 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -83.05 119.88 25.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -109.35 140.73 42.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 10.0 111.502 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.474 ' HA ' ' HD2' ' A' ' 12' ' ' LYS . 22.8 mt-10 -132.88 170.97 14.55 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.052 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.72 44.21 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.105 -1.045 . . . . 10.0 112.715 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.52 ' OE1' ' HG2' ' A' ' 12' ' ' LYS . 4.8 mp0 -70.98 141.55 51.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.748 0.309 . . . . 10.0 110.421 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -92.79 111.34 22.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.05 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.322 -0.601 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.678 -179.422 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.965 -0.454 . . . . 10.0 111.965 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -88.78 138.72 31.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.833 0.349 . . . . 10.0 110.568 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -96.11 4.03 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.181 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.5 mmm -105.43 -176.53 3.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.669 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.52 148.56 22.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.083 0.468 . . . . 10.0 111.354 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.57 135.26 49.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.971 -0.558 . . . . 10.0 110.448 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.2 t -103.73 131.4 52.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -98.77 125.05 44.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.191 0.52 . . . . 10.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.477 ' CE2' HD21 ' A' ' 62' ' ' LEU . 91.3 m-85 -116.92 147.79 41.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.666 -0.697 . . . . 10.0 110.452 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -105.02 60.56 0.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.402 0.62 . . . . 10.0 109.646 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.43 111.07 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.874 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.7 mttm 55.75 22.14 5.24 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.547 -0.751 . . . . 10.0 111.741 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.95 -18.88 51.34 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.262 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.19 139.68 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.844 0.354 . . . . 10.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -82.42 103.99 12.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.647 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -106.06 134.6 48.93 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -115.91 106.07 13.39 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.972 0.415 . . . . 10.0 110.268 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.7 t -112.22 130.27 66.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.684 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.13 148.43 49.96 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.075 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 tt -65.2 -22.11 30.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.131 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.6 p -80.07 -13.37 59.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.73 0.3 . . . . 10.0 110.958 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.95 -29.52 15.22 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.573 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.52 124.58 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.912 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 mt -93.09 -63.41 1.22 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.637 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -140.53 135.67 32.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.403 -0.362 . . . . 10.0 110.938 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.4 t -111.0 126.83 68.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.461 -0.57 . . . . 10.0 109.461 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.68 137.16 13.0 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.512 -0.852 . . . . 10.0 112.485 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -107.5 109.67 21.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.198 0.523 . . . . 10.0 110.171 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -90.29 5.65 46.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.984 -0.553 . . . . 10.0 109.973 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.26 -94.94 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.945 -0.862 . . . . 10.0 110.945 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 67.9 mmtt -101.3 -6.21 24.43 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.188 0.518 . . . . 10.0 109.695 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.5 mt -116.16 111.78 20.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.155 -0.929 . . . . 10.0 109.007 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 2.7 mp -101.24 118.45 48.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.429 -0.351 . . . . 10.0 110.409 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 68.6 t60 -114.46 127.55 55.88 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.412 -0.588 . . . . 10.0 109.412 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -123.74 153.79 40.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.062 0.458 . . . . 10.0 111.129 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.11 132.52 54.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.102 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.2 p90 -136.4 147.34 47.24 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.753 -0.379 . . . . 10.0 110.622 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 118.42 18.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.952 0.406 . . . . 10.0 110.195 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.1 tt -77.17 -40.8 44.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.118 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.63 114.93 3.45 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.883 -0.675 . . . . 10.0 111.988 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.82 10.14 9.43 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.581 -0.819 . . . . 10.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.09 -64.28 0.36 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.725 -0.75 . . . . 10.0 112.843 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.95 132.75 35.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.027 0.441 . . . . 10.0 111.037 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -95.39 161.39 14.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.309 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.54 -175.73 28.5 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.499 -0.641 . . . . 10.0 111.499 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 18.2 ptt? -161.77 154.17 19.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.96 0.38 . . . . 10.0 110.993 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.62 145.26 11.59 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.831 -0.7 . . . . 10.0 112.14 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 36.9 ttp -124.57 134.28 53.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.923 0.392 . . . . 10.0 110.636 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -135.39 153.89 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.056 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 p -87.83 162.9 16.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.685 0.278 . . . . 10.0 110.588 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -72.79 -7.76 52.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.987 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -103.1 -18.39 14.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.811 0.339 . . . . 10.0 110.925 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -93.85 -22.19 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.137 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.57 120.19 58.2 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.422 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.44 144.43 99.41 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.616 2.21 . . . . 10.0 111.946 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -54.31 -34.58 61.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.802 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -56.0 -43.96 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.959 0.409 . . . . 10.0 110.646 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.8 mt -87.01 -29.8 21.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.791 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD12 HD12 ' A' ' 62' ' ' LEU . 13.7 tp -62.13 -33.95 75.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.668 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -69.14 -34.91 75.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 10.0 109.874 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -66.85 -32.75 74.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.83 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 9' ' ' PHE . 93.9 mt -67.19 -19.84 65.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.011 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -78.92 -25.82 43.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.271 0.558 . . . . 10.0 109.599 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -81.46 -25.09 36.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.788 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -106.01 5.99 30.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.587 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -72.72 134.56 45.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.369 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.383 -179.23 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.237 -0.345 . . . . 10.0 112.237 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -72.91 91.62 1.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.015 0.436 . . . . 10.0 111.107 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.76 146.35 17.63 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.894 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -130.46 138.11 50.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -134.98 155.59 50.49 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.924 0.392 . . . . 10.0 111.444 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -136.29 -164.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.65 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.03 82.38 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.545 -0.752 . . . . 10.0 112.064 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.38 130.39 54.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -78.63 113.22 16.49 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.985 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 111.988 -0.445 . . . . 10.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.55 116.77 24.04 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.233 -0.284 . . . . 10.0 110.233 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -95.59 -15.87 22.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.944 0.402 . . . . 10.0 110.666 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 99.2 mmm -85.96 -177.75 6.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.45 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.18 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.047 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 p -102.54 140.58 36.63 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.033 -0.53 . . . . 10.0 110.246 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.3 t -111.26 122.7 66.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.878 0.37 . . . . 10.0 110.996 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -91.0 133.05 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.79 158.73 28.2 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.12 0.486 . . . . 10.0 111.19 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -113.79 82.14 1.64 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.743 -0.836 . . . . 10.0 108.743 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 2.0 t80 -82.26 103.09 11.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.482 -0.781 . . . . 10.0 110.33 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 tttt 58.17 19.27 5.98 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.264 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.46 -22.73 19.47 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.133 -0.556 . . . . 10.0 112.016 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -78.09 119.55 21.65 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 122.651 0.38 . . . . 10.0 110.49 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -83.91 103.99 13.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.956 0.408 . . . . 10.0 110.913 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 11' ' ' TYR . 63.4 mttt -108.58 158.71 17.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.984 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.47 107.12 11.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.161 0.505 . . . . 10.0 109.848 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.79 127.53 60.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.884 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.91 145.32 55.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.526 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 tt -62.39 -23.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.717 0.294 . . . . 10.0 111.525 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.1 p -79.37 -16.86 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 10.0 110.673 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -89.21 -24.86 22.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.81 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.23 120.23 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.129 0.49 . . . . 10.0 111.132 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 mt -90.69 -61.31 1.7 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.418 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -148.81 140.87 23.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.207 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 62' ' ' LEU . 61.9 t -115.02 124.91 72.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.911 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.65 118.82 3.6 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.704 -0.76 . . . . 10.0 112.49 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -87.8 124.16 33.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.649 0.261 . . . . 10.0 110.359 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -102.4 3.99 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.699 . . . . 10.0 109.727 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.01 -99.37 0.61 Allowed Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.298 -0.864 . . . . 10.0 111.004 -179.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -86.11 -26.2 25.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.499 . . . . 10.0 109.955 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -108.48 120.24 41.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.377 -0.829 . . . . 10.0 109.593 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 48' ' ' MET . 52.6 mt -105.39 120.43 56.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.908 0.385 . . . . 10.0 110.223 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -106.34 131.07 53.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.635 -0.711 . . . . 10.0 109.923 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -133.06 154.62 50.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.924 0.392 . . . . 10.0 111.152 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.72 132.14 55.34 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.247 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -135.51 142.07 45.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.089 -0.245 . . . . 10.0 110.605 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -73.27 126.21 29.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 10.0 110.345 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 tt -94.96 -28.86 14.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.212 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.52 153.65 16.6 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.849 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.39 8.35 77.89 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.851 -0.69 . . . . 10.0 112.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.98 -12.64 59.06 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.906 -0.664 . . . . 10.0 112.667 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 147.48 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.331 0.586 . . . . 10.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.07 150.98 38.41 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.257 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.13 171.31 19.58 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.979 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -143.58 157.74 44.19 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 110.008 -0.367 . . . . 10.0 110.008 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -159.81 154.19 25.22 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 120.314 -0.946 . . . . 10.0 112.043 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 6.3 mtm -122.3 129.43 52.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.795 0.331 . . . . 10.0 110.342 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.0 p -128.6 160.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.433 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.7 p -94.51 174.12 7.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.769 0.319 . . . . 10.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -87.08 -5.99 58.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.278 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -100.1 -39.61 8.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -75.67 -16.78 60.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.004 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.23 124.05 50.67 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.415 ' HD2' HD12 ' A' ' 58' ' ' LEU . 26.3 Cg_exo -61.41 152.07 75.29 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.877 2.385 . . . . 10.0 112.167 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -57.61 -37.41 73.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.239 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' MET . 45.9 tt0 -61.75 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.931 0.396 . . . . 10.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.595 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 29.8 mt -65.22 -34.83 79.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.497 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.86 -40.4 92.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.793 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 10.2 tp-100 -67.98 -35.84 79.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.959 -0.564 . . . . 10.0 109.699 179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 92.8 mtp -65.53 -39.0 91.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 10.0 109.767 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 65.0 mt -66.52 -34.34 77.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.864 179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.32 -28.14 68.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.422 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' GLN . 84.6 mttt -77.08 -27.62 54.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -99.48 16.57 22.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.721 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.48 128.87 37.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.5 mttt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.438 -179.704 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 112.356 -0.298 . . . . 10.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -77.66 139.6 39.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.263 0.554 . . . . 10.0 111.699 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.69 80.7 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.885 . . . . 10.0 111.388 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -68.93 152.6 45.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.927 0.394 . . . . 10.0 111.123 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -116.41 165.95 12.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.406 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -126.09 171.52 10.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.655 -0.702 . . . . 10.0 109.436 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.53 45.47 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.441 -0.885 . . . . 10.0 112.134 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -84.82 133.59 34.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.787 0.327 . . . . 10.0 110.167 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -85.03 106.49 16.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.021 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.431 -179.809 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.574 0 N-CA-C 112.126 -0.389 . . . . 10.0 112.126 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -77.08 138.28 39.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.868 0.366 . . . . 10.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -93.2 14.42 18.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.051 0.453 . . . . 10.0 110.285 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 95.7 mmm -103.63 176.95 4.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.341 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.71 140.79 29.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.284 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -107.97 125.26 51.3 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 10.0 110.009 179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.5 t -100.67 136.53 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.828 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -99.41 137.1 38.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.208 -0.451 . . . . 10.0 109.945 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -127.14 133.08 50.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.024 -178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -86.67 76.56 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.098 -0.704 . . . . 10.0 109.098 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.67 109.63 13.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.412 -0.813 . . . . 10.0 110.874 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttt 54.14 28.94 9.61 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.805 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.99 -18.19 57.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 10.0 112.588 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -86.38 138.67 31.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.801 0.334 . . . . 10.0 110.272 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -88.7 98.89 11.94 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.897 0.379 . . . . 10.0 110.863 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -100.42 159.58 15.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' HG2' HG22 ' A' ' 6' ' ' THR . 6.7 tt0 -133.11 123.43 25.71 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.555 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.2 t -126.9 137.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.425 -0.352 . . . . 10.0 110.793 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -67.49 136.99 55.47 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -62.36 -26.01 39.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 111.842 0.312 . . . . 10.0 111.842 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.4 p -82.06 -15.13 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 10.0 110.717 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.31 -15.18 34.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.933 0.397 . . . . 10.0 110.45 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.5 mt -70.17 124.48 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.04 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -84.05 -52.78 6.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.587 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 p -163.3 137.76 6.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.269 -0.423 . . . . 10.0 111.114 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.9 t -103.69 136.06 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.72 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.78 117.91 3.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.063 -0.589 . . . . 10.0 112.177 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 28' ' ' ARG . 28.2 ttt180 -93.74 109.8 21.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.609 0.242 . . . . 10.0 110.717 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -82.99 -18.93 38.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 10.0 109.928 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 142.31 -93.37 0.18 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.399 -1.08 . . . . 10.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -85.37 -24.1 27.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -107.4 138.05 44.31 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.882 -1.054 . . . . 10.0 109.724 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.9 mt -121.11 122.35 67.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 74.4 t60 -118.86 126.26 51.4 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.272 -0.64 . . . . 10.0 109.272 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 47' ' ' GLY . 24.1 p90 -125.92 155.47 41.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.947 0.403 . . . . 10.0 111.226 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.45 135.04 54.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.115 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -135.3 157.7 46.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.689 0.281 . . . . 10.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.65 113.58 25.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 2.1 tt -73.41 -46.77 46.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.248 -178.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.43 140.69 7.17 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.407 -0.901 . . . . 10.0 111.754 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.09 -12.11 60.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.568 -0.825 . . . . 10.0 111.764 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 135.47 -46.99 1.0 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.199 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HE3' ' O ' ' B' ' 4' ' ' GLU . 10.4 ptmm? -86.89 152.87 22.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.247 0.546 . . . . 10.0 111.053 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -103.04 -165.94 1.22 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.435 -0.802 . . . . 10.0 109.616 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.8 169.92 31.24 Favored Glycine 0 N--CA 1.444 -0.815 0 N-CA-C 111.546 -0.622 . . . . 10.0 111.546 179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.403 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 21.4 ptt? -139.86 161.57 37.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.111 -0.329 . . . . 10.0 110.111 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 35' ' ' PHE . . . -146.3 143.18 11.23 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.942 -0.647 . . . . 10.0 112.667 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.6 tpp -124.66 126.46 45.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.778 0.323 . . . . 10.0 110.695 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.13 161.84 13.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.61 -0.515 . . . . 10.0 109.61 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.5 p -112.83 165.14 12.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.321 -0.237 . . . . 10.0 110.511 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.83 -25.0 67.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.295 -0.411 . . . . 10.0 110.944 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -82.42 -27.97 31.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.51 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -82.79 -51.39 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.014 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.19 129.1 81.31 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.197 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.5 158.13 54.64 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.631 2.221 . . . . 10.0 111.938 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -59.59 -34.23 72.47 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 111.882 0.327 . . . . 10.0 111.882 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -56.26 -51.41 68.26 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.886 0.374 . . . . 10.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 55.0 mt -77.6 -28.15 51.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.32 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.89 -41.35 91.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.104 0.478 . . . . 10.0 110.202 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.19 -34.29 77.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.604 -0.725 . . . . 10.0 110.186 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 84.5 mtp -73.14 -35.84 66.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.396 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 37.4 mt -66.21 -41.98 89.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.738 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -61.9 -27.22 68.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.2 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.53 -29.4 46.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.926 0.393 . . . . 10.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -97.94 7.98 45.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.22 0.533 . . . . 10.0 110.516 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -77.03 120.11 21.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.34 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 89.8 mttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.795 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.236 0 N-CA-C 112.225 -0.35 . . . . 10.0 112.225 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.608 ' O ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -104.51 169.95 8.17 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.837 -0.431 . . . . 10.0 109.837 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.41 91.16 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.546 -0.835 . . . . 10.0 112.585 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -77.16 137.34 38.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.895 0.378 . . . . 10.0 110.582 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -126.68 133.22 50.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.24 172.42 10.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.396 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.84 52.62 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.777 -0.725 . . . . 10.0 111.517 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.51 145.15 29.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.261 -0.47 . . . . 10.0 110.655 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -99.95 123.42 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.08 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.683 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.697 0 N-CA-C 112.124 -0.39 . . . . 10.0 112.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t -93.92 139.39 30.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.19 -0.3 . . . . 10.0 110.19 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -97.3 11.12 37.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.084 0.468 . . . . 10.0 110.394 179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 94.5 mmm -96.75 175.67 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.38 143.19 27.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.998 0.428 . . . . 10.0 111.352 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.1 135.3 47.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.986 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG13 HD22 ' A' ' 58' ' ' LEU . 13.9 t -109.46 126.29 66.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' GLN . 37.5 ttmt -94.77 117.79 30.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.42 -0.354 . . . . 10.0 111.247 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.17 144.45 31.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.635 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -100.92 62.22 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.435 -0.58 . . . . 10.0 109.435 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.63 112.23 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.303 -0.862 . . . . 10.0 111.163 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.5 mttt 56.37 19.19 3.85 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.414 -0.812 . . . . 10.0 112.296 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.98 -9.59 59.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.565 -0.826 . . . . 10.0 111.902 -179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -87.67 146.39 25.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.66 104.44 17.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.043 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.46 116.03 20.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.897 0.379 . . . . 10.0 110.485 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' LYS . 5.4 tt0 -99.89 135.76 40.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.89 0.376 . . . . 10.0 110.977 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -129.28 140.68 48.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.465 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -70.67 142.96 51.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.108 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 tt -64.25 -22.84 32.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 111.807 0.299 . . . . 10.0 111.807 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 56.6 p -80.16 -9.06 59.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.044 0.449 . . . . 10.0 110.736 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -101.13 -12.68 18.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.517 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.7 mt -76.35 115.02 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.169 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.8 mt -80.15 -56.96 3.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.023 -0.535 . . . . 10.0 111.146 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -152.41 140.34 20.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.08 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.37 130.19 65.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.163 -0.471 . . . . 10.0 109.844 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.05 122.55 5.24 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.023 -0.608 . . . . 10.0 112.01 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -94.22 103.09 15.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 10.0 111.105 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.1 m-85 -94.61 77.24 3.77 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.484 -0.561 . . . . 10.0 109.484 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.32 -92.9 0.19 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.977 -0.63 . . . . 10.0 111.898 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 50' ' ' SER . 70.4 mmtt -114.87 -12.94 12.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.634 0.254 . . . . 10.0 111.127 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 6.9 mt -104.95 94.82 5.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.102 0.477 . . . . 10.0 110.184 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.3 mt -80.57 128.26 38.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.451 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 46' ' ' MET . 81.0 t60 -120.52 130.93 54.46 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.471 -0.566 . . . . 10.0 109.471 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -126.34 151.52 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.162 0.506 . . . . 10.0 111.122 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp -113.48 126.45 55.33 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.869 -0.789 . . . . 10.0 108.869 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 28.8 p90 -127.97 147.84 50.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.603 0.24 . . . . 10.0 110.895 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -86.72 126.41 34.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.128 0.489 . . . . 10.0 111.384 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 8.5 mt -97.47 -58.66 1.95 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.989 -0.551 . . . . 10.0 110.406 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.04 -179.29 17.48 Favored Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.729 -0.748 . . . . 10.0 111.9 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.81 8.99 78.71 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.594 -0.812 . . . . 10.0 112.388 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.34 -12.45 43.76 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.995 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 166.38 20.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.367 0.604 . . . . 10.0 111.499 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -122.26 -171.47 2.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.326 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.62 -175.53 14.01 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.68 -0.772 . . . . 10.0 111.768 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 26.1 ptt? -157.58 157.61 34.03 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.925 -0.398 . . . . 10.0 109.925 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.09 141.33 7.38 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.526 -0.845 . . . . 10.0 112.431 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG2' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -113.9 142.72 45.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.094 0.473 . . . . 10.0 110.637 179.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 p -145.43 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.666 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 60.0 p -88.78 160.55 17.22 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.531 -0.304 . . . . 10.0 110.263 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -64.55 -23.38 67.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.839 0.352 . . . . 10.0 110.966 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -82.07 -29.83 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.976 0.417 . . . . 10.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -88.83 -14.44 36.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.53 119.56 59.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.39 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.52 148.12 93.81 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.554 2.17 . . . . 10.0 111.471 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.2 -36.75 73.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.562 -0.29 . . . . 10.0 111.564 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.35 -49.55 77.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.145 0.498 . . . . 10.0 110.785 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.3 mt -73.84 -32.06 63.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.507 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.62 -37.53 78.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.06 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.02 -36.59 84.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.522 -0.763 . . . . 10.0 109.759 178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 85.3 mtp -70.7 -29.32 65.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 77.2 mt -69.33 -34.81 75.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.281 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.37 -14.97 62.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.687 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -91.48 -12.43 34.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 10.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.63 8.79 10.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.318 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.55 121.77 24.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.292 -179.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 112.183 -0.367 . . . . 10.0 112.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -64.7 141.19 58.86 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.025 0.441 . . . . 10.0 111.503 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.23 76.52 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.075 -0.81 . . . . 10.0 111.075 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 157.63 37.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.838 0.351 . . . . 10.0 111.326 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -121.82 142.16 50.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.276 -0.42 . . . . 10.0 111.074 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.19 -177.72 3.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 10.0 109.709 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 173.77 65.75 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.08 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.447 ' HB2' ' CE ' ' A' ' 48' ' ' MET . 4.0 mp0 -99.6 133.93 43.22 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.024 0.44 . . . . 10.0 110.73 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.1 134.18 35.08 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.829 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.409 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 t -91.29 141.32 28.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.038 0.447 . . . . 10.0 110.463 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -106.69 13.22 28.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.802 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 76.6 mmm -93.63 -175.99 3.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.602 -0.726 . . . . 10.0 109.633 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -94.45 120.29 34.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.868 0.366 . . . . 10.0 110.995 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.26 131.12 34.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.643 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.7 t -105.02 136.06 40.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.73 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -102.87 131.34 49.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.804 0.335 . . . . 10.0 110.435 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -122.61 169.27 11.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.907 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -116.96 82.62 1.83 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.361 0.6 . . . . 10.0 109.671 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.14 100.87 2.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.717 -179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.0 tttt 54.13 27.98 8.37 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.408 -0.814 . . . . 10.0 111.37 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.34 -26.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.936 -0.649 . . . . 10.0 112.95 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.02 130.25 35.52 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.786 0.327 . . . . 10.0 110.194 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.62 130.6 42.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.179 0.514 . . . . 10.0 111.694 -178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -126.82 155.4 42.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.989 -1.005 . . . . 10.0 108.698 179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.18 122.26 21.39 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.988 0.423 . . . . 10.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 t -128.05 138.14 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.049 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -71.22 147.51 48.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.469 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 tp -61.28 -27.09 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.485 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.6 p -84.12 -13.74 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.062 0.458 . . . . 10.0 110.819 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -89.45 -23.13 22.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.374 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -73.44 126.63 34.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.312 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.34 -65.39 1.02 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.82 0.343 . . . . 10.0 110.84 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.57 142.26 30.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.486 -0.325 . . . . 10.0 111.252 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.6 t -114.57 138.04 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.03 -0.532 . . . . 10.0 109.825 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.34 2.35 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.985 -0.626 . . . . 10.0 112.484 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -88.03 104.88 17.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -75.84 -9.5 58.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.296 0.57 . . . . 10.0 110.059 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.15 -94.43 0.28 Allowed Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.071 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -85.27 -16.6 39.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.549 0.69 . . . . 10.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -122.34 131.33 53.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.135 -0.939 . . . . 10.0 109.867 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 20.8 mt -110.58 121.44 63.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.28 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -113.24 136.7 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.264 -0.426 . . . . 10.0 109.863 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -133.23 152.31 51.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.974 0.416 . . . . 10.0 111.624 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -112.43 132.65 54.93 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.807 -0.812 . . . . 10.0 108.807 178.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -135.6 151.54 50.37 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.783 -0.367 . . . . 10.0 111.192 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -73.5 126.28 29.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.293 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.88 -55.72 2.57 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.243 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.99 152.99 7.84 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.524 -0.846 . . . . 10.0 112.87 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.25 -4.04 86.45 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.001 -0.618 . . . . 10.0 112.462 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 124.82 -42.8 1.47 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 121.09 -0.576 . . . . 10.0 111.936 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' B' ' 4' ' ' GLU . 0.0 OUTLIER -90.06 153.32 20.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.07 0.462 . . . . 10.0 110.609 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.56 171.94 7.33 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.681 . . . . 10.0 110.264 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' O ' HD13 ' A' ' 36' ' ' LEU . . . -111.86 162.16 12.52 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.857 -0.687 . . . . 10.0 111.478 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -145.45 143.57 30.11 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.694 -0.484 . . . . 10.0 109.694 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.93 147.98 19.26 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.271 -0.966 . . . . 10.0 112.408 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 26.9 ttp -124.33 128.97 49.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.936 0.398 . . . . 10.0 110.709 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -130.17 154.3 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.962 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -91.99 165.66 13.09 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.599 0.237 . . . . 10.0 110.6 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.08 -15.46 62.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.084 0.469 . . . . 10.0 110.481 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -84.2 -35.04 23.79 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -84.27 -34.65 23.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.02 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.27 113.1 38.78 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.35 149.48 75.33 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.547 2.165 . . . . 10.0 111.581 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -59.02 -28.63 66.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.604 0.24 . . . . 10.0 111.373 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -59.98 -46.49 89.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.254 0.55 . . . . 10.0 110.727 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -85.69 -26.14 26.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.709 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.73 -35.8 77.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.35 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -62.64 -28.34 69.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 88.4 mtp -80.75 -36.8 31.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.011 -0.541 . . . . 10.0 109.681 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.86 -34.45 77.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.734 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -67.42 -27.73 67.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.056 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -76.3 -26.04 55.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.977 0.418 . . . . 10.0 110.712 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.56 5.75 41.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.138 0.494 . . . . 10.0 110.568 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -73.75 112.21 9.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 77.5 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.719 -178.643 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.083 -0.407 . . . . 10.0 112.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.472 ' N ' ' HE3' ' A' ' 43' ' ' LYS . 24.5 mm-40 -75.97 118.28 18.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.111 0.481 . . . . 10.0 111.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 147.63 15.39 Favored Glycine 0 N--CA 1.449 -0.452 0 N-CA-C 110.852 -0.899 . . . . 10.0 110.852 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -149.25 122.65 9.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.124 0.462 . . . . 10.0 111.013 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -107.12 145.87 31.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.522 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -122.82 -168.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.228 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.12 97.3 0.11 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.141 -1.028 . . . . 10.0 113.263 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -125.75 136.55 53.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.844 -0.428 . . . . 10.0 109.844 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.58 117.24 29.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.135 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.398 0 N-CA-C 112.192 -0.363 . . . . 10.0 112.192 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -88.87 140.93 28.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.97 0.414 . . . . 10.0 110.639 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -103.5 6.92 37.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 10.0 110.095 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -87.53 -168.72 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.025 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -100.52 127.06 46.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.672 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.491 HG22 ' HG2' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -99.41 129.06 45.57 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 179.547 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 0.7 OUTLIER -106.54 140.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.122 -178.46 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -97.25 129.1 44.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.02 -0.537 . . . . 10.0 110.102 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' HE2' HD21 ' A' ' 62' ' ' LEU . 52.3 m-85 -122.94 124.95 44.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.838 0.352 . . . . 10.0 111.29 -179.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -84.31 79.68 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.369 0.605 . . . . 10.0 110.066 178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.42 116.84 26.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.037 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.9 mmtt 60.82 17.81 8.08 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.135 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.29 -23.08 37.24 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -81.91 119.01 23.4 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.956 0.502 . . . . 10.0 109.734 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -77.59 111.93 13.86 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.13 0.491 . . . . 10.0 110.577 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -105.59 145.55 30.83 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.988 -0.551 . . . . 10.0 109.95 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HG2' HG22 ' A' ' 6' ' ' THR . 5.2 tt0 -113.94 105.57 13.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.967 0.413 . . . . 10.0 110.158 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.2 t -116.63 131.28 69.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.502 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 6' ' ' THR . 12.5 t70 -70.2 145.88 51.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.495 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 tt -59.97 -29.27 43.01 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.836 -179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 64.1 p -75.26 -17.58 60.28 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.825 0.345 . . . . 10.0 111.062 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -87.99 -18.81 28.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.957 0.408 . . . . 10.0 110.163 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -72.57 126.14 32.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.173 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -94.71 -52.31 4.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.05 144.95 28.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.405 -0.362 . . . . 10.0 111.364 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.3 t -124.69 131.17 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.551 -0.537 . . . . 10.0 109.551 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.94 125.37 3.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.628 -0.796 . . . . 10.0 112.46 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 28' ' ' ARG . 25.5 ttt180 -97.19 111.9 23.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.139 0.495 . . . . 10.0 110.614 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.44 54.24 1.57 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.384 0.611 . . . . 10.0 109.699 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.82 -106.48 2.55 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.397 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -80.79 -27.03 36.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.669 0.271 . . . . 10.0 111.606 -179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -109.54 122.88 48.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.177 0.513 . . . . 10.0 111.093 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.6 mt -102.32 124.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.035 -0.529 . . . . 10.0 109.961 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -116.23 135.25 54.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.832 0.349 . . . . 10.0 110.118 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -127.04 151.13 49.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.223 0.535 . . . . 10.0 111.046 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.78 122.4 43.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.289 -0.869 . . . . 10.0 108.905 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -122.6 157.77 31.42 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 121.026 -0.27 . . . . 10.0 111.112 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -87.32 125.35 34.18 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.374 -0.602 . . . . 10.0 109.374 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.514 ' H ' ' HA ' ' A' ' 44' ' ' ALA . 1.4 tt -90.63 -48.47 7.05 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 10.0 110.731 -179.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.35 162.33 11.11 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.7 -0.762 . . . . 10.0 111.953 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.7 14.13 82.83 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.158 -0.544 . . . . 10.0 112.314 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.72 3.56 64.27 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.698 -0.763 . . . . 10.0 112.398 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -123.63 153.38 40.81 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.944 0.402 . . . . 10.0 110.587 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HA ' ' H ' ' A' ' 39' ' ' LEU . . . -115.26 -177.62 3.18 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.877 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.87 -177.16 14.8 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.714 -0.954 . . . . 10.0 110.714 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -159.1 163.77 35.91 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.381 0.59 . . . . 10.0 111.355 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -168.21 152.84 21.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.623 -0.591 . . . . 10.0 111.623 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttp -130.45 135.21 47.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.398 . . . . 10.0 111.24 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -134.24 150.41 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.806 -0.634 . . . . 10.0 109.556 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.0 p -92.78 170.83 9.4 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.134 -0.354 . . . . 10.0 110.808 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -70.02 -23.26 63.09 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.001 0.429 . . . . 10.0 110.181 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -81.81 -29.0 32.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -87.9 -20.31 26.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.91 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.77 108.76 60.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.04 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.439 ' HD2' HD12 ' A' ' 58' ' ' LEU . 27.7 Cg_exo -62.04 159.83 32.57 Favored 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.923 2.416 . . . . 10.0 112.192 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -55.93 -38.03 69.75 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.081 0.4 . . . . 10.0 112.081 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.91 -43.53 91.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.998 0.427 . . . . 10.0 110.763 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 33.0 mt -82.51 -31.62 29.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.71 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.421 HD12 HD12 ' A' ' 62' ' ' LEU . 12.0 tp -60.17 -39.69 87.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.071 0.462 . . . . 10.0 110.45 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -64.27 -31.62 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.813 -0.631 . . . . 10.0 110.375 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.8 mtp -74.17 -27.46 60.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.149 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 HD21 ' HE2' ' A' ' 9' ' ' PHE . 50.9 mt -70.75 -37.44 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.419 . . . . 10.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -68.51 -18.22 64.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 10.0 110.949 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -85.81 -17.78 34.75 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -113.42 9.95 18.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.324 0.583 . . . . 10.0 110.029 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.6 134.82 50.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.238 -0.892 . . . . 10.0 110.418 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.756 -179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.253 -0.339 . . . . 10.0 112.253 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -70.47 143.75 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 10.0 110.428 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.43 66.61 0.19 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.093 -0.575 . . . . 10.0 111.859 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -58.84 138.69 57.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.966 0.412 . . . . 10.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -110.76 155.26 22.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.902 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -138.28 171.41 14.42 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.513 . . . . 10.0 109.881 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.81 68.17 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.952 -0.642 . . . . 10.0 111.726 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.13 121.73 45.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -82.66 140.5 33.11 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.853 -179.215 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 111.972 -0.451 . . . . 10.0 111.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -87.04 141.29 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -110.08 9.47 24.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.107 0.479 . . . . 10.0 110.587 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mmm -98.86 -172.75 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.74 133.37 35.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.778 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 131.05 51.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.425 HG13 HD22 ' A' ' 58' ' ' LEU . 11.2 t -107.35 137.64 37.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.062 -0.517 . . . . 10.0 110.196 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -100.67 138.07 38.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.101 -0.333 . . . . 10.0 110.101 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.6 159.8 33.54 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.946 0.403 . . . . 10.0 111.277 -178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -110.23 80.41 1.31 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -80.05 105.12 11.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.493 -0.776 . . . . 10.0 110.34 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt 56.37 25.27 9.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.205 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 101.61 -15.65 57.04 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.938 -0.649 . . . . 10.0 112.292 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -86.38 136.27 33.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.768 0.318 . . . . 10.0 110.502 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -83.97 109.67 17.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.976 0.417 . . . . 10.0 110.777 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -104.46 163.65 12.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -133.28 112.32 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.308 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.4 t -122.54 131.62 72.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.321 -0.4 . . . . 10.0 110.917 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -77.96 146.27 35.56 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.053 -0.351 . . . . 10.0 110.053 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.4 tt -59.82 -29.99 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.171 0.434 . . . . 10.0 112.171 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.8 p -74.32 -17.65 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 10.0 111.133 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -91.34 -18.48 24.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.951 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 63.8 mt -71.38 124.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.337 -0.392 . . . . 10.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -88.12 -59.07 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 10.0 110.768 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 75.3 m -151.27 140.38 21.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 10.0 110.765 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.76 132.12 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.57 121.15 3.73 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.833 -0.698 . . . . 10.0 112.379 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.7 ttt-85 -84.64 98.19 10.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.903 0.383 . . . . 10.0 110.411 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -88.29 67.22 8.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.365 0.602 . . . . 10.0 109.534 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.75 -109.51 2.82 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.131 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -94.2 -7.62 41.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.853 0.358 . . . . 10.0 111.294 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' HG2' ' A' ' 48' ' ' MET . 10.6 mt -116.52 111.65 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.393 . . . . 10.0 110.243 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.22 116.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.353 -0.385 . . . . 10.0 110.404 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -110.56 136.57 49.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -136.25 155.07 50.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.138 0.494 . . . . 10.0 111.263 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -116.47 129.7 56.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.201 -0.909 . . . . 10.0 109.146 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.3 p90 -131.09 151.37 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.71 0.29 . . . . 10.0 110.778 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -82.95 134.55 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.848 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 tp -91.06 -51.43 5.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.925 -0.579 . . . . 10.0 110.58 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.66 122.67 2.62 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.767 -0.73 . . . . 10.0 111.785 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.83 -17.53 20.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.22 -0.514 . . . . 10.0 112.536 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.85 -44.5 1.14 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.714 -0.755 . . . . 10.0 112.161 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' HZ3' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -93.42 164.36 13.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -142.27 -158.65 0.88 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.918 0.39 . . . . 10.0 111.624 -178.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -162.32 9.15 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.088 -0.805 . . . . 10.0 111.088 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.8 ptt? -167.68 149.13 5.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.008 0.404 . . . . 10.0 110.438 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.17 146.03 14.96 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.39 -0.91 . . . . 10.0 112.552 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.612 ' HG2' HD22 ' A' ' 32' ' ' LEU . 15.6 ttp -127.26 135.64 50.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.916 -0.401 . . . . 10.0 109.916 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.0 p -136.59 144.36 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.068 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.7 p -79.24 159.2 27.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.765 0.317 . . . . 10.0 110.397 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -66.59 -18.66 65.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.324 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -85.15 -34.08 22.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.481 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.47 -33.61 54.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.408 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -82.8 125.57 75.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 17.4 Cg_exo -67.0 151.15 82.53 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.61 2.207 . . . . 10.0 111.731 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.32 -39.19 72.39 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.814 0.34 . . . . 10.0 111.706 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -59.47 -43.59 93.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 83.3 mt -80.69 -29.13 36.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.795 0.331 . . . . 10.0 110.42 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.1 tp -58.67 -43.42 89.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.909 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.98 -31.67 72.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.464 -0.789 . . . . 10.0 110.22 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.1 mtp -70.52 -36.06 73.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.585 -0.524 . . . . 10.0 109.585 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.1 mt -67.85 -34.12 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.73 178.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.98 -32.93 74.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.355 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -73.39 -12.44 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -120.72 12.05 11.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 10.0 110.251 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -69.86 127.57 33.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.555 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.541 -179.801 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 112.503 -0.239 . . . . 10.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -78.45 80.1 4.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.101 0.477 . . . . 10.0 111.496 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.57 61.79 0.43 Allowed Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.965 -0.854 . . . . 10.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.456 ' H ' ' HG2' ' B' ' 6' ' ' GLU . 2.1 pt-20 -64.43 139.87 58.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.847 0.356 . . . . 10.0 110.794 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -118.35 154.57 32.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.234 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -134.05 179.78 6.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.735 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.63 82.21 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.73 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -99.24 153.62 18.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.671 0.272 . . . . 10.0 110.603 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -94.99 113.39 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 10.0 109.628 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.534 -179.622 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 N-CA-C 112.149 -0.38 . . . . 10.0 112.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.9 t -85.78 136.58 33.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.039 0.447 . . . . 10.0 110.99 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -95.64 7.76 45.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.45 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.3 mmm -92.38 173.48 7.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.509 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.98 126.93 36.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.771 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.62 142.88 27.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.409 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 t -115.25 127.25 72.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.763 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -96.25 121.78 38.4 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.472 -0.331 . . . . 10.0 110.62 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -110.49 142.35 42.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.955 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 53' ' ' ASP . 59.4 tttt -94.05 70.04 3.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.917 -0.772 . . . . 10.0 108.917 178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -79.01 113.74 17.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.512 -0.767 . . . . 10.0 111.186 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt 56.79 22.68 7.19 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.058 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.1 -9.75 67.76 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.823 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -97.77 148.91 22.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.022 -0.362 . . . . 10.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.53 112.75 21.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.922 0.391 . . . . 10.0 110.93 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -105.25 117.36 33.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.781 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.62 100.41 12.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.125 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.5 t -112.97 129.91 67.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.493 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.35 143.24 46.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -63.6 -25.1 37.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.019 0.377 . . . . 10.0 112.019 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 p -74.37 -14.36 60.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.995 0.426 . . . . 10.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -97.15 -15.24 21.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.99 121.22 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.468 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.09 -67.93 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.424 ' HB3' ' HD2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -143.41 139.54 30.0 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.237 -179.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.6 t -104.07 120.93 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.81 115.49 4.37 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.882 -0.675 . . . . 10.0 111.746 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' A' ' 30' ' ' GLY . 52.1 ttt-85 -94.98 106.73 18.74 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.764 0.316 . . . . 10.0 110.817 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.23 14.48 7.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 28' ' ' ARG . . . 112.99 -100.34 1.09 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.529 -0.628 . . . . 10.0 111.529 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -81.99 -27.66 33.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.881 0.372 . . . . 10.0 110.363 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -109.85 129.19 55.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.323 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.511 ' O ' ' HA ' ' A' ' 48' ' ' MET . 26.6 mt -107.06 122.5 61.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.67 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -117.78 116.1 26.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -118.1 153.83 33.11 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.437 -0.347 . . . . 10.0 110.838 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt -111.47 131.01 55.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.505 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -128.02 147.64 50.51 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.698 -0.228 . . . . 10.0 110.395 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -79.23 116.0 19.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.755 -0.461 . . . . 10.0 109.755 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.6 tt -84.77 -45.82 11.99 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.946 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.36 155.01 8.0 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.723 -0.751 . . . . 10.0 112.209 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.84 -2.96 86.82 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.646 -0.787 . . . . 10.0 112.704 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.59 -23.86 10.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.912 -0.661 . . . . 10.0 112.504 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.41 151.31 20.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.395 0.617 . . . . 10.0 111.749 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -112.79 164.16 13.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.094 -0.957 . . . . 10.0 109.859 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.19 173.53 15.93 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 121.014 -0.612 . . . . 10.0 111.712 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -143.18 164.6 29.73 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.642 0.258 . . . . 10.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.36 84.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 10.0 112.426 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 27.7 ttp -67.41 128.13 35.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.787 0.327 . . . . 10.0 111.411 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.76 159.0 41.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.583 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.6 p -92.81 162.87 13.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.67 0.271 . . . . 10.0 110.469 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -72.37 -17.34 61.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.991 0.424 . . . . 10.0 110.053 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -83.5 -34.96 25.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.568 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' HB3' ' HD3' ' A' ' 10' ' ' LYS . 32.7 m-20 -80.87 -23.53 38.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.779 -0.646 . . . . 10.0 111.242 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -93.34 131.06 33.62 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.476 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 9.5 Cg_exo -70.12 150.48 66.09 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.73 2.286 . . . . 10.0 111.556 178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -58.23 -32.54 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.618 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.46 -55.39 35.26 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.094 0.473 . . . . 10.0 110.51 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.3 mt -71.31 -28.65 64.25 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.714 -0.675 . . . . 10.0 110.217 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.42 -36.37 82.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.144 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -68.49 -31.16 70.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.219 0.533 . . . . 10.0 109.695 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 92.5 mtp -73.69 -35.48 65.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.691 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 80.7 mt -66.16 -36.71 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.283 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -63.76 -35.81 81.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.478 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 61' ' ' MET . 40.6 mtmt -70.48 -23.65 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -106.23 7.72 31.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.269 0.557 . . . . 10.0 110.364 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -71.05 123.51 22.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.434 -0.803 . . . . 10.0 110.242 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' HD2' ' HB3' ' A' ' 25' ' ' SER . 90.4 mttt . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.275 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.453 0 N-CA-C 112.4 -0.28 . . . . 10.0 112.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -88.27 138.54 31.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.964 0.411 . . . . 10.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 154.4 93.37 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 N-CA-C 110.791 -0.924 . . . . 10.0 110.791 -179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 172.32 13.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.954 0.407 . . . . 10.0 110.966 -178.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -128.73 161.45 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.443 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -123.77 -168.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.963 -0.384 . . . . 10.0 109.963 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.37 73.16 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.806 -0.711 . . . . 10.0 111.592 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.52 139.08 39.33 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.254 -0.276 . . . . 10.0 110.254 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -83.34 91.48 7.33 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.189 0.518 . . . . 10.0 110.24 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.094 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.15 -0.38 . . . . 10.0 112.15 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -135.26 131.29 36.4 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -85.34 -9.75 57.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.194 0.521 . . . . 10.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.6 mmm -81.92 167.31 19.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.511 -0.768 . . . . 10.0 109.42 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.41 145.61 25.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.809 0.338 . . . . 10.0 110.726 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.55 136.49 41.31 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.288 -0.415 . . . . 10.0 110.307 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 t -107.55 126.43 63.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.781 0.324 . . . . 10.0 110.721 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -89.52 132.9 34.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.151 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -121.71 143.12 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.544 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -105.62 58.48 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.541 0.686 . . . . 10.0 109.361 179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -73.06 123.86 24.38 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.208 -0.905 . . . . 10.0 110.171 -179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 mttm 60.73 20.06 10.12 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.388 -0.824 . . . . 10.0 111.467 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.57 -24.4 20.33 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.867 -0.682 . . . . 10.0 111.736 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.22 154.09 41.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.375 -0.602 . . . . 10.0 109.375 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -103.47 113.47 27.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.963 0.411 . . . . 10.0 111.336 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -120.0 163.6 17.37 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -142.13 120.36 12.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.863 0.363 . . . . 10.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.8 t -117.8 135.53 57.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.826 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 140.3 55.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.534 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 tt -59.8 -25.49 32.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.209 0.448 . . . . 10.0 112.209 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.1 p -77.68 -17.25 57.87 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.069 -0.394 . . . . 10.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -91.04 -24.03 20.17 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.911 0.386 . . . . 10.0 110.679 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.0 mt -63.98 128.74 26.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -93.65 -66.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -144.19 139.47 28.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.775 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.7 t -109.71 120.25 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.219 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.67 137.41 14.21 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.763 -0.732 . . . . 10.0 111.744 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.5 ttt-85 -120.72 99.31 6.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.613 0.244 . . . . 10.0 111.22 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -73.17 -23.0 60.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.726 0.774 . . . . 10.0 109.522 178.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.77 -109.68 0.41 Allowed Glycine 0 N--CA 1.44 -1.058 0 CA-C-N 114.955 -1.02 . . . . 10.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 21.6 mmtt -76.34 -17.61 59.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.388 . . . . 10.0 110.81 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 48' ' ' MET . 13.6 mt -110.26 118.6 36.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.53 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 48' ' ' MET . 23.7 mt -101.45 117.39 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.93 118.86 36.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.405 -0.362 . . . . 10.0 110.19 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -120.12 154.96 33.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.863 0.363 . . . . 10.0 111.116 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 mt -112.26 139.6 47.66 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.399 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 33.9 p90 -144.48 147.21 33.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.927 0.394 . . . . 10.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.96 125.1 29.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.029 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 4' ' ' GLU . 0.4 OUTLIER -97.92 -54.45 3.09 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.988 -0.285 . . . . 10.0 111.373 -179.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.69 153.91 6.61 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.3 -0.952 . . . . 10.0 112.607 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.18 4.65 74.09 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.865 -0.683 . . . . 10.0 112.45 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.09 -25.06 24.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.977 -0.63 . . . . 10.0 112.218 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.99 156.09 19.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.131 0.491 . . . . 10.0 110.557 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 37' ' ' TYR . . . -118.61 -175.33 2.86 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.918 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.69 -168.83 12.41 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 110.845 -0.902 . . . . 10.0 110.845 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -168.15 150.96 5.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.859 0.361 . . . . 10.0 110.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.69 142.9 11.35 Favored Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 120.787 -0.72 . . . . 10.0 111.61 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.572 ' HG2' HD22 ' A' ' 32' ' ' LEU . 12.5 ttp -124.4 118.0 25.71 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 p -117.69 155.38 19.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.65 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -92.88 144.9 24.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.194 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' HD11 ' A' ' 33' ' ' ILE . 26.2 mt-10 -61.88 -28.05 69.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.896 0.379 . . . . 10.0 111.26 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -81.82 -6.66 59.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.591 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.53 -37.73 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.925 0.343 . . . . 10.0 111.925 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . . . -76.57 135.76 68.27 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.392 -179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 54' ' ' ALA . 26.7 Cg_exo -62.15 148.9 92.34 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.856 2.371 . . . . 10.0 112.222 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -62.16 -36.06 80.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.619 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.01 -46.77 86.08 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 42.3 mt -68.78 -32.08 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.97 -36.21 83.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.468 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -67.57 -35.49 79.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.505 178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 94.6 mtp -69.84 -29.69 67.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.663 -0.699 . . . . 10.0 109.856 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 57.9 mt -70.32 -33.93 72.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.394 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -60.77 -37.69 82.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.292 0.568 . . . . 10.0 110.28 179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -67.42 -23.17 65.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.284 -0.871 . . . . 10.0 111.377 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -108.07 5.05 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.935 0.398 . . . . 10.0 111.235 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -81.3 108.35 14.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.296 -0.411 . . . . 10.0 109.926 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.088 -0.506 . . . . 10.0 110.823 -179.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 112.282 -0.327 . . . . 10.0 112.282 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.656 ' HB3' HD13 ' A' ' 39' ' ' LEU . 47.5 mm-40 -71.69 144.03 49.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.85 0.357 . . . . 10.0 110.837 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 143.01 63.2 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.3 -0.72 . . . . 10.0 111.3 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -63.97 159.36 20.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 10.0 111.694 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.18 168.36 11.3 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.171 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.89 166.75 23.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.947 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.7 66.77 0.14 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.961 -0.637 . . . . 10.0 112.631 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -106.01 134.55 48.95 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.752 -0.462 . . . . 10.0 109.752 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -92.4 128.34 38.22 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.787 -0.449 . . . . 10.0 109.787 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.782 179.953 . . . . . . . . 0 0 . 1 stop_ save_